(1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide

C25H27BrFNO — CID 67089068

IUPAC(1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide
SMILESBr.COc1ccccc1CN[C@H]1CCc2ccccc2[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C25H26FNO.BrH/c1-28-25-9-5-3-7-20(25)17-27-24-15-12-19-6-2-4-8-22(19)23(24)16-18-10-13-21(26)14-11-18;/h2-11,13-14,23-24,27H,12,15-17H2,1H3;1H/t23-,24+;/m1./s1
InChIKeyNJQVCHPCMWMYFV-ITNPDYSASA-N
MW456.40 g/mol
LogP5.84
Rot. Bonds6

About (1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide

(1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide (PubChem CID 67089068) has the molecular formula C25H27BrFNO and a molecular weight of 456.40 g/mol. Its IUPAC name is (1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide.

Molecular Properties

Compound Name(1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide
PubChem CID67089068
Molecular FormulaC25H27BrFNO
Molecular Weight456.40 g/mol
Exact Mass455.13
IUPAC Name(1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide
SMILESBr.COc1ccccc1CN[C@H]1CCc2ccccc2[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C25H26FNO.BrH/c1-28-25-9-5-3-7-20(25)17-27-24-15-12-19-6-2-4-8-22(19)23(24)16-18-10-13-21(26)14-11-18;/h2-11,13-14,23-24,27H,12,15-17H2,1H3;1H/t23-,24+;/m1./s1
InChIKeyNJQVCHPCMWMYFV-ITNPDYSASA-N
XLogP5.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.40
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
CID 67089076
(1S,2R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 67089292
1-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide
CID 21251715
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978105
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104791593
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181895
(3S,4S)-4-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]oxolan-3-amine
CID 46967603
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
N-[(2-methoxyphenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 60733536

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide?
The IUPAC name of (1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide (CID 67089068) is (1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide.
What is the SMILES notation for (1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide?
The canonical SMILES for (1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide is Br.COc1ccccc1CN[C@H]1CCc2ccccc2[C@H]1Cc1ccc(F)cc1.
What is the InChIKey of (1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide?
The InChIKey is NJQVCHPCMWMYFV-ITNPDYSASA-N. The full InChI is InChI=1S/C25H26FNO.BrH/c1-28-25-9-5-3-7-20(25)17-27-24-15-12-19-6-2-4-8-22(19)23(24)16-18-10-13-21(26)14-11-18;/h2-11,13-14,23-24,27H,12,15-17H2,1H3;1H/t23-,24+;/m1./s1.
What are the key properties of (1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide?
(1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide has a molecular weight of 456.40 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide is sourced from PubChem (CID 67089068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).