8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C19H21ClF3NO — CID 18331822

IUPAC8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCOc1cccc2c1CC(NCc1cccc(C(F)(F)F)c1)CC2.Cl
InChIInChI=1S/C19H20F3NO.ClH/c1-24-18-7-3-5-14-8-9-16(11-17(14)18)23-12-13-4-2-6-15(10-13)19(20,21)22;/h2-7,10,16,23H,8-9,11-12H2,1H3;1H
InChIKeyMNGVVUSHZLKQRW-UHFFFAOYSA-N
MW371.83 g/mol
LogP4.78
Rot. Bonds4

About 8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 18331822) has the molecular formula C19H21ClF3NO and a molecular weight of 371.83 g/mol. Its IUPAC name is 8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID18331822
Molecular FormulaC19H21ClF3NO
Molecular Weight371.83 g/mol
Exact Mass371.13
IUPAC Name8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCOc1cccc2c1CC(NCc1cccc(C(F)(F)F)c1)CC2.Cl
InChIInChI=1S/C19H20F3NO.ClH/c1-24-18-7-3-5-14-8-9-16(11-17(14)18)23-12-13-4-2-6-15(10-13)19(20,21)22;/h2-7,10,16,23H,8-9,11-12H2,1H3;1H
InChIKeyMNGVVUSHZLKQRW-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 22866782
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
N-(cyclopropylmethyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18331788
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 126817915
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 61462002
1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylmethanamine
CID 112547016
N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 63331563
(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride
CID 19888691
(2S)-N-[(3,5-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983162
N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 119160611
2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43080931

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of 8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 18331822) is 8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for 8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for 8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is COc1cccc2c1CC(NCc1cccc(C(F)(F)F)c1)CC2.Cl.
What is the InChIKey of 8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is MNGVVUSHZLKQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO.ClH/c1-24-18-7-3-5-14-8-9-16(11-17(14)18)23-12-13-4-2-6-15(10-13)19(20,21)22;/h2-7,10,16,23H,8-9,11-12H2,1H3;1H.
What are the key properties of 8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 371.83 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 18331822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).