[5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine

C17H15ClN2 — CID 66159150

IUPAC[5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1Cc1ccnc2ccccc12
InChIInChI=1S/C17H15ClN2/c18-15-6-5-12(14(10-15)11-19)9-13-7-8-20-17-4-2-1-3-16(13)17/h1-8,10H,9,11,19H2
InChIKeyQKXPCXATNUQOKZ-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.94
Rot. Bonds3

About [5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine

[5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine (PubChem CID 66159150) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is [5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine
PubChem CID66159150
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name[5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1Cc1ccnc2ccccc12
InChIInChI=1S/C17H15ClN2/c18-15-6-5-12(14(10-15)11-19)9-13-7-8-20-17-4-2-1-3-16(13)17/h1-8,10H,9,11,19H2
InChIKeyQKXPCXATNUQOKZ-UHFFFAOYSA-N
XLogP3.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-2-(pyridin-2-ylmethyl)phenyl]methanamine
CID 66161310
[5-chloro-2-(quinolin-2-ylmethyl)phenyl]methanamine
CID 66159539
[3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine
CID 66481827
2,5-difluoro-4-(quinolin-4-ylmethyl)aniline
CID 107615849
5-methyl-2-(quinolin-4-ylmethyl)aniline
CID 82766689
3-chloro-4-(quinolin-4-ylmethyl)benzoic acid
CID 81294252
[5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 79754308
4-chloro-2-(quinolin-4-ylmethylsulfanyl)aniline
CID 79529000
4-quinolin-4-ylbutan-1-amine
CID 10559963
5-quinolin-4-ylpentan-1-amine
CID 71089574
(2-quinolin-4-ylphenyl)methanamine
CID 150465725
N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine
CID 63765703

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine (CID 66159150) is [5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine is NCc1cc(Cl)ccc1Cc1ccnc2ccccc12.
What is the InChIKey of [5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine?
The InChIKey is QKXPCXATNUQOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c18-15-6-5-12(14(10-15)11-19)9-13-7-8-20-17-4-2-1-3-16(13)17/h1-8,10H,9,11,19H2.
What are the key properties of [5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine?
[5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine has a molecular weight of 282.77 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 66159150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).