(3-chlorophenyl)-quinolin-2-ylmethanamine

C16H13ClN2 — CID 63222803

IUPAC(3-chlorophenyl)-quinolin-2-ylmethanamine
SMILESNC(c1cccc(Cl)c1)c1ccc2ccccc2n1
InChIInChI=1S/C16H13ClN2/c17-13-6-3-5-12(10-13)16(18)15-9-8-11-4-1-2-7-14(11)19-15/h1-10,16H,18H2
InChIKeyISYAJFHVXQKXSB-UHFFFAOYSA-N
MW268.75 g/mol
LogP3.94
Rot. Bonds2

About (3-chlorophenyl)-quinolin-2-ylmethanamine

(3-chlorophenyl)-quinolin-2-ylmethanamine (PubChem CID 63222803) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is (3-chlorophenyl)-quinolin-2-ylmethanamine.

Molecular Properties

Compound Name(3-chlorophenyl)-quinolin-2-ylmethanamine
PubChem CID63222803
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name(3-chlorophenyl)-quinolin-2-ylmethanamine
SMILESNC(c1cccc(Cl)c1)c1ccc2ccccc2n1
InChIInChI=1S/C16H13ClN2/c17-13-6-3-5-12(10-13)16(18)15-9-8-11-4-1-2-7-14(11)19-15/h1-10,16H,18H2
InChIKeyISYAJFHVXQKXSB-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

(3-chlorophenyl)-(6-methyl-2-pyridinyl)methanamine
CID 63555430
[1-(3-chlorophenyl)-2-quinolin-2-ylethyl]hydrazine
CID 105194577
(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine
CID 115811895
2-(1-chloroethyl)quinoline
CID 14750485
amino(quinolin-2-yl)methanol
CID 154237779
(3-chlorophenyl)-(4-methyl-2-pyridinyl)methanamine
CID 63839417
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
(1R)-1-quinolin-2-ylethanamine;hydrochloride
CID 171216934
(1R)-1-quinolin-2-ylbutane-1,4-diamine
CID 171216930
(3S)-3-amino-3-quinolin-2-ylpropan-1-ol
CID 96860354
(1S)-1-quinolin-2-ylbutane-1,4-diamine
CID 171236567
(2,6-difluoro-3-methylphenyl)-quinolin-2-ylmethanamine
CID 82802155

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-quinolin-2-ylmethanamine?
The IUPAC name of (3-chlorophenyl)-quinolin-2-ylmethanamine (CID 63222803) is (3-chlorophenyl)-quinolin-2-ylmethanamine.
What is the SMILES notation for (3-chlorophenyl)-quinolin-2-ylmethanamine?
The canonical SMILES for (3-chlorophenyl)-quinolin-2-ylmethanamine is NC(c1cccc(Cl)c1)c1ccc2ccccc2n1.
What is the InChIKey of (3-chlorophenyl)-quinolin-2-ylmethanamine?
The InChIKey is ISYAJFHVXQKXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-13-6-3-5-12(10-13)16(18)15-9-8-11-4-1-2-7-14(11)19-15/h1-10,16H,18H2.
What are the key properties of (3-chlorophenyl)-quinolin-2-ylmethanamine?
(3-chlorophenyl)-quinolin-2-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 (3-chlorophenyl)-quinolin-2-ylmethanamine is sourced from PubChem (CID 63222803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).