(2-chlorophenyl)-quinolin-5-ylmethanamine

C16H13ClN2 — CID 81231454

IUPAC(2-chlorophenyl)-quinolin-5-ylmethanamine
SMILESNC(c1ccccc1Cl)c1cccc2ncccc12
InChIInChI=1S/C16H13ClN2/c17-14-8-2-1-5-13(14)16(18)12-6-3-9-15-11(12)7-4-10-19-15/h1-10,16H,18H2
InChIKeySCZRGAZNTOWXHI-UHFFFAOYSA-N
MW268.75 g/mol
LogP3.94
Rot. Bonds2

About (2-chlorophenyl)-quinolin-5-ylmethanamine

(2-chlorophenyl)-quinolin-5-ylmethanamine (PubChem CID 81231454) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is (2-chlorophenyl)-quinolin-5-ylmethanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-quinolin-5-ylmethanamine
PubChem CID81231454
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name(2-chlorophenyl)-quinolin-5-ylmethanamine
SMILESNC(c1ccccc1Cl)c1cccc2ncccc12
InChIInChI=1S/C16H13ClN2/c17-14-8-2-1-5-13(14)16(18)12-6-3-9-15-11(12)7-4-10-19-15/h1-10,16H,18H2
InChIKeySCZRGAZNTOWXHI-UHFFFAOYSA-N
XLogP3.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-quinolin-4-ylmethanamine
CID 105099870
(2,3-dichlorophenyl)-quinolin-4-ylmethanamine
CID 105141880
(2-chloro-5-fluorophenyl)-quinolin-5-ylmethanamine
CID 105396959
2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine
CID 81227860
(5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine
CID 115604916
1-benzothiophen-3-yl(quinolin-5-yl)methanamine
CID 115604927
(2-methylfuran-3-yl)-quinolin-5-ylmethanamine
CID 104789805
(3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine
CID 81231315
(1R)-1-quinolin-5-ylethanamine
CID 55277010
(2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine
CID 107985270
2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine
CID 82787833
(4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine
CID 105164518

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-quinolin-5-ylmethanamine?
The IUPAC name of (2-chlorophenyl)-quinolin-5-ylmethanamine (CID 81231454) is (2-chlorophenyl)-quinolin-5-ylmethanamine.
What is the SMILES notation for (2-chlorophenyl)-quinolin-5-ylmethanamine?
The canonical SMILES for (2-chlorophenyl)-quinolin-5-ylmethanamine is NC(c1ccccc1Cl)c1cccc2ncccc12.
What is the InChIKey of (2-chlorophenyl)-quinolin-5-ylmethanamine?
The InChIKey is SCZRGAZNTOWXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-14-8-2-1-5-13(14)16(18)12-6-3-9-15-11(12)7-4-10-19-15/h1-10,16H,18H2.
What are the key properties of (2-chlorophenyl)-quinolin-5-ylmethanamine?
(2-chlorophenyl)-quinolin-5-ylmethanamine has a molecular weight of 268.75 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-quinolin-5-ylmethanamine is sourced from PubChem (CID 81231454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).