(2-chlorophenyl)-quinolin-4-ylmethanamine

C16H13ClN2 — CID 105099870

IUPAC(2-chlorophenyl)-quinolin-4-ylmethanamine
SMILESNC(c1ccccc1Cl)c1ccnc2ccccc12
InChIInChI=1S/C16H13ClN2/c17-14-7-3-1-6-13(14)16(18)12-9-10-19-15-8-4-2-5-11(12)15/h1-10,16H,18H2
InChIKeyBLFXXXSXTPVGQN-UHFFFAOYSA-N
MW268.75 g/mol
LogP3.94
Rot. Bonds2

About (2-chlorophenyl)-quinolin-4-ylmethanamine

(2-chlorophenyl)-quinolin-4-ylmethanamine (PubChem CID 105099870) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is (2-chlorophenyl)-quinolin-4-ylmethanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-quinolin-4-ylmethanamine
PubChem CID105099870
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name(2-chlorophenyl)-quinolin-4-ylmethanamine
SMILESNC(c1ccccc1Cl)c1ccnc2ccccc12
InChIInChI=1S/C16H13ClN2/c17-14-7-3-1-6-13(14)16(18)12-9-10-19-15-8-4-2-5-11(12)15/h1-10,16H,18H2
InChIKeyBLFXXXSXTPVGQN-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-5-ylmethanamine
CID 81231454
(2,3-dichlorophenyl)-quinolin-4-ylmethanamine
CID 105141880
(4-chlorophenyl)-quinolin-4-ylmethanamine
CID 105076501
(2-chloro-5-fluorophenyl)-quinolin-5-ylmethanamine
CID 105396959
[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine
CID 67722769
[4-[4-[amino(quinolin-4-yl)methyl]phenyl]phenyl]-quinolin-4-ylmethanamine;hydrate
CID 67722730
(3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine
CID 105182016
(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride
CID 171216982
(4-ethylphenyl)-quinolin-4-ylmethanamine
CID 105121771
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine
CID 81227860
(2-methylfuran-3-yl)-quinolin-5-ylmethanamine
CID 104789805

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-quinolin-4-ylmethanamine?
The IUPAC name of (2-chlorophenyl)-quinolin-4-ylmethanamine (CID 105099870) is (2-chlorophenyl)-quinolin-4-ylmethanamine.
What is the SMILES notation for (2-chlorophenyl)-quinolin-4-ylmethanamine?
The canonical SMILES for (2-chlorophenyl)-quinolin-4-ylmethanamine is NC(c1ccccc1Cl)c1ccnc2ccccc12.
What is the InChIKey of (2-chlorophenyl)-quinolin-4-ylmethanamine?
The InChIKey is BLFXXXSXTPVGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-14-7-3-1-6-13(14)16(18)12-9-10-19-15-8-4-2-5-11(12)15/h1-10,16H,18H2.
What are the key properties of (2-chlorophenyl)-quinolin-4-ylmethanamine?
(2-chlorophenyl)-quinolin-4-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-4-ylmethanamine is sourced from PubChem (CID 105099870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).