1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine

C17H15ClF3N — CID 154372103

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESNC1(c2ccc(Cl)c(C(F)(F)F)c2)CCCc2ccccc21
InChIInChI=1S/C17H15ClF3N/c18-15-8-7-12(10-14(15)17(19,20)21)16(22)9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10H,3,5,9,22H2
InChIKeyHRGGDIGGPXJWSL-UHFFFAOYSA-N
MW325.76 g/mol
LogP4.90
Rot. Bonds1

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine

1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 154372103) has the molecular formula C17H15ClF3N and a molecular weight of 325.76 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID154372103
Molecular FormulaC17H15ClF3N
Molecular Weight325.76 g/mol
Exact Mass325.08
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESNC1(c2ccc(Cl)c(C(F)(F)F)c2)CCCc2ccccc21
InChIInChI=1S/C17H15ClF3N/c18-15-8-7-12(10-14(15)17(19,20)21)16(22)9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10H,3,5,9,22H2
InChIKeyHRGGDIGGPXJWSL-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine 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

1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79701029
1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride
CID 170897906
5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 60793660
1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 19261885
5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 54919324
1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 55120889
1-(3,5-difluorophenyl)-2,3-dihydroinden-1-amine
CID 55115938
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2449152
1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 105393720
1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531885
1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 62800508
1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine
CID 54919051

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine (CID 154372103) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine is NC1(c2ccc(Cl)c(C(F)(F)F)c2)CCCc2ccccc21.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is HRGGDIGGPXJWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N/c18-15-8-7-12(10-14(15)17(19,20)21)16(22)9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10H,3,5,9,22H2.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 325.76 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 154372103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).