(1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride

C14H15ClF3NO — CID 171218913

IUPAC(1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
SMILESCOc1ccc2cc([C@@H](N)CC(F)(F)F)ccc2c1.Cl
InChIInChI=1S/C14H14F3NO.ClH/c1-19-12-5-4-9-6-11(3-2-10(9)7-12)13(18)8-14(15,16)17;/h2-7,13H,8,18H2,1H3;1H/t13-;/m0./s1
InChIKeyMCLBADXVCWBPNQ-ZOWNYOTGSA-N
MW305.73 g/mol
LogP4.22
Rot. Bonds3

About (1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride

(1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride (PubChem CID 171218913) has the molecular formula C14H15ClF3NO and a molecular weight of 305.73 g/mol. Its IUPAC name is (1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
PubChem CID171218913
Molecular FormulaC14H15ClF3NO
Molecular Weight305.73 g/mol
Exact Mass305.08
IUPAC Name(1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
SMILESCOc1ccc2cc([C@@H](N)CC(F)(F)F)ccc2c1.Cl
InChIInChI=1S/C14H14F3NO.ClH/c1-19-12-5-4-9-6-11(3-2-10(9)7-12)13(18)8-14(15,16)17;/h2-7,13H,8,18H2,1H3;1H/t13-;/m0./s1
InChIKeyMCLBADXVCWBPNQ-ZOWNYOTGSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780
(1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
CID 171218899
(1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride
CID 171218891
1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 57010651
(1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 171312841
(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-amine;hydrochloride
CID 171234453
2-[(1S)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride
CID 171222254
2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride
CID 171202696
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride
CID 171222654
(3R)-3-amino-3-(6-methoxynaphthalen-2-yl)propanamide
CID 29060145
(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239323
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride (CID 171218913) is (1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride is COc1ccc2cc([C@@H](N)CC(F)(F)F)ccc2c1.Cl.
What is the InChIKey of (1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride?
The InChIKey is MCLBADXVCWBPNQ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H14F3NO.ClH/c1-19-12-5-4-9-6-11(3-2-10(9)7-12)13(18)8-14(15,16)17;/h2-7,13H,8,18H2,1H3;1H/t13-;/m0./s1.
What are the key properties of (1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride?
(1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride has a molecular weight of 305.73 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171218913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).