2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine

C17H19FN2 — CID 114346238

IUPAC2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCc1cc(F)ccc1CN1CCc2ccc(N)cc2C1
InChIInChI=1S/C17H19FN2/c1-12-8-16(18)4-2-14(12)10-20-7-6-13-3-5-17(19)9-15(13)11-20/h2-5,8-9H,6-7,10-11,19H2,1H3
InChIKeyZZTWFHSATBCGDJ-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.27
Rot. Bonds2

About 2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine

2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 114346238) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID114346238
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCc1cc(F)ccc1CN1CCc2ccc(N)cc2C1
InChIInChI=1S/C17H19FN2/c1-12-8-16(18)4-2-14(12)10-20-7-6-13-3-5-17(19)9-15(13)11-20/h2-5,8-9H,6-7,10-11,19H2,1H3
InChIKeyZZTWFHSATBCGDJ-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-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

4-[(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-methylbenzonitrile
CID 114484252
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 39358153
2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine
CID 43175797
2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 23298431
2-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 106264362
5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 114345879
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-fluorobenzenecarbothioamide
CID 64764669
(3R,4S)-1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-3,4-diol
CID 103887198
4-chloro-1-[(4-fluoro-2-methylphenyl)methyl]piperidine
CID 114349079
1-[(4-fluoro-2-methylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908869
6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1377084
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoroaniline
CID 64767664

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine (CID 114346238) is 2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine is Cc1cc(F)ccc1CN1CCc2ccc(N)cc2C1.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is ZZTWFHSATBCGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-12-8-16(18)4-2-14(12)10-20-7-6-13-3-5-17(19)9-15(13)11-20/h2-5,8-9H,6-7,10-11,19H2,1H3.
What are the key properties of 2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine?
2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 270.35 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 114346238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).