N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C21H27FN2O — CID 126817915

IUPACN-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1cccc2c1CCC(NCc1ccc(F)c(CN(C)C)c1)C2
InChIInChI=1S/C21H27FN2O/c1-24(2)14-17-11-15(7-10-20(17)22)13-23-18-8-9-19-16(12-18)5-4-6-21(19)25-3/h4-7,10-11,18,23H,8-9,12-14H2,1-3H3
InChIKeyMYARRQSIXCAQCE-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.54
Rot. Bonds6

About N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 126817915) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID126817915
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC NameN-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1cccc2c1CCC(NCc1ccc(F)c(CN(C)C)c1)C2
InChIInChI=1S/C21H27FN2O/c1-24(2)14-17-11-15(7-10-20(17)22)13-23-18-8-9-19-16(12-18)5-4-6-21(19)25-3/h4-7,10-11,18,23H,8-9,12-14H2,1-3H3
InChIKeyMYARRQSIXCAQCE-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

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Related Compounds

(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
(2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 22866782
8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18331822
ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 165394416
5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 24880718
5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23635993
(2S)-N-[(3,5-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983162
N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 107454401
(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494595
(6S)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494596
N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454794
5-methoxy-N-[(2-propyl-1,3-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 154744312

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 126817915) is N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is COc1cccc2c1CCC(NCc1ccc(F)c(CN(C)C)c1)C2.
What is the InChIKey of N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is MYARRQSIXCAQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-24(2)14-17-11-15(7-10-20(17)22)13-23-18-8-9-19-16(12-18)5-4-6-21(19)25-3/h4-7,10-11,18,23H,8-9,12-14H2,1-3H3.
What are the key properties of N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 342.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 126817915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).