(4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine

C17H15ClN2 — CID 114754979

IUPAC(4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine
SMILESCc1cc(C(N)c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C17H15ClN2/c1-11-10-16(20-15-5-3-2-4-14(11)15)17(19)12-6-8-13(18)9-7-12/h2-10,17H,19H2,1H3
InChIKeyJCKVNPUOWORXKM-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.24
Rot. Bonds2

About (4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine

(4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine (PubChem CID 114754979) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine
PubChem CID114754979
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name(4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine
SMILESCc1cc(C(N)c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C17H15ClN2/c1-11-10-16(20-15-5-3-2-4-14(11)15)17(19)12-6-8-13(18)9-7-12/h2-10,17H,19H2,1H3
InChIKeyJCKVNPUOWORXKM-UHFFFAOYSA-N
XLogP4.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline
CID 134960971
(4-fluoro-2-methylphenyl)-(4-methylquinolin-2-yl)methanamine
CID 114754987
(3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol
CID 114754840
[(2-chlorophenyl)-(4-methylquinolin-2-yl)methyl]hydrazine
CID 105279631
(4-methoxyphenyl)-(4-methylquinolin-2-yl)methanol
CID 114754870
1-(4-methylquinolin-2-yl)pent-3-yn-1-amine
CID 114755048
1-(4-methylquinolin-2-yl)pent-4-en-1-amine
CID 114755015
(4-chlorophenyl)-(2-methylquinolin-4-yl)methanol
CID 79234879
[2,2-dimethyl-1-(4-methylquinolin-2-yl)propyl]hydrazine
CID 105279714
(4-chlorophenyl)-quinolin-4-ylmethanamine
CID 105076501
[(5-methyl-3-pyridinyl)-(4-methylquinolin-2-yl)methyl]hydrazine
CID 105279660
[furan-3-yl-(4-methylquinolin-2-yl)methyl]hydrazine
CID 105279718

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine?
The IUPAC name of (4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine (CID 114754979) is (4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine?
The canonical SMILES for (4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine is Cc1cc(C(N)c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of (4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine?
The InChIKey is JCKVNPUOWORXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-11-10-16(20-15-5-3-2-4-14(11)15)17(19)12-6-8-13(18)9-7-12/h2-10,17H,19H2,1H3.
What are the key properties of (4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine?
(4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine has a molecular weight of 282.77 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine is sourced from PubChem (CID 114754979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).