3-chloro-4-(quinolin-2-ylmethyl)aniline

C16H13ClN2 — CID 107615850

IUPAC3-chloro-4-(quinolin-2-ylmethyl)aniline
SMILESNc1ccc(Cc2ccc3ccccc3n2)c(Cl)c1
InChIInChI=1S/C16H13ClN2/c17-15-10-13(18)7-5-12(15)9-14-8-6-11-3-1-2-4-16(11)19-14/h1-8,10H,9,18H2
InChIKeyWKPZWTCCJCNHJP-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.06
Rot. Bonds2

About 3-chloro-4-(quinolin-2-ylmethyl)aniline

3-chloro-4-(quinolin-2-ylmethyl)aniline (PubChem CID 107615850) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 3-chloro-4-(quinolin-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-4-(quinolin-2-ylmethyl)aniline
PubChem CID107615850
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name3-chloro-4-(quinolin-2-ylmethyl)aniline
SMILESNc1ccc(Cc2ccc3ccccc3n2)c(Cl)c1
InChIInChI=1S/C16H13ClN2/c17-15-10-13(18)7-5-12(15)9-14-8-6-11-3-1-2-4-16(11)19-14/h1-8,10H,9,18H2
InChIKeyWKPZWTCCJCNHJP-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-2-(quinolin-2-ylmethyl)phenyl]methanamine
CID 66159539
3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline
CID 43351628
3-fluoro-4-(quinolin-2-ylmethyl)phenol
CID 83129838
3,5-difluoro-4-(quinolin-2-ylmethylsulfanyl)aniline
CID 61359855
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
1-(2,5-dichlorophenyl)-2-quinolin-2-ylethanamine
CID 43118742
7-methyl-2-(quinolin-2-ylmethyl)quinoline
CID 146200056
acridine;acridine-3,6-diamine
CID 21276006
5-methyl-2-(quinolin-2-ylmethyl)benzoic acid
CID 81111502
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)methyl]quinoline
CID 80947388
2-[(4-amino-2-chlorophenyl)methyl]-3-chloroaniline
CID 176902193
N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine
CID 28774820

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(quinolin-2-ylmethyl)aniline?
The IUPAC name of 3-chloro-4-(quinolin-2-ylmethyl)aniline (CID 107615850) is 3-chloro-4-(quinolin-2-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-4-(quinolin-2-ylmethyl)aniline?
The canonical SMILES for 3-chloro-4-(quinolin-2-ylmethyl)aniline is Nc1ccc(Cc2ccc3ccccc3n2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(quinolin-2-ylmethyl)aniline?
The InChIKey is WKPZWTCCJCNHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-15-10-13(18)7-5-12(15)9-14-8-6-11-3-1-2-4-16(11)19-14/h1-8,10H,9,18H2.
What are the key properties of 3-chloro-4-(quinolin-2-ylmethyl)aniline?
3-chloro-4-(quinolin-2-ylmethyl)aniline has a molecular weight of 268.75 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(quinolin-2-ylmethyl)aniline is sourced from PubChem (CID 107615850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).