[2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine

C17H18ClFN2 — CID 107881906

IUPAC[2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
SMILESNCC1Cc2ccccc2CN1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C17H18ClFN2/c18-16-6-5-12(7-17(16)19)10-21-11-14-4-2-1-3-13(14)8-15(21)9-20/h1-7,15H,8-11,20H2
InChIKeyPSYZOGHMYRQMQO-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.36
Rot. Bonds3

About [2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine

[2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine (PubChem CID 107881906) has the molecular formula C17H18ClFN2 and a molecular weight of 304.80 g/mol. Its IUPAC name is [2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
PubChem CID107881906
Molecular FormulaC17H18ClFN2
Molecular Weight304.80 g/mol
Exact Mass304.11
IUPAC Name[2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
SMILESNCC1Cc2ccccc2CN1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C17H18ClFN2/c18-16-6-5-12(7-17(16)19)10-21-11-14-4-2-1-3-13(14)8-15(21)9-20/h1-7,15H,8-11,20H2
InChIKeyPSYZOGHMYRQMQO-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
CID 62343141
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311652
[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
CID 62342737
[1-[(4-chloro-3-fluorophenyl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 80504679
1-[2-[(4-iodophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine
CID 65478020
[2-[(3-chloro-4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 103038322
2-(2-bromoethyl)-1-[(4-chloro-3-fluorophenyl)methyl]piperidine
CID 107887471
(3S)-2-[(4-fluorophenyl)methyl]-3-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 67668022
[(3S)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol
CID 101010637
2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 107883808
[4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 103038281
1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide
CID 75514745

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine?
The IUPAC name of [2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine (CID 107881906) is [2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine.
What is the SMILES notation for [2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine?
The canonical SMILES for [2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine is NCC1Cc2ccccc2CN1Cc1ccc(Cl)c(F)c1.
What is the InChIKey of [2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine?
The InChIKey is PSYZOGHMYRQMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2/c18-16-6-5-12(7-17(16)19)10-21-11-14-4-2-1-3-13(14)8-15(21)9-20/h1-7,15H,8-11,20H2.
What are the key properties of [2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine?
[2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine has a molecular weight of 304.80 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine is sourced from PubChem (CID 107881906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).