3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine

C15H19ClN2 — CID 113469085

IUPAC3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine
SMILESCCN(CCCCl)Cc1ccc2ncccc2c1
InChIInChI=1S/C15H19ClN2/c1-2-18(10-4-8-16)12-13-6-7-15-14(11-13)5-3-9-17-15/h3,5-7,9,11H,2,4,8,10,12H2,1H3
InChIKeySUTMBFALZVSLPB-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.69
Rot. Bonds6

About 3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine

3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine (PubChem CID 113469085) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine
PubChem CID113469085
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine
SMILESCCN(CCCCl)Cc1ccc2ncccc2c1
InChIInChI=1S/C15H19ClN2/c1-2-18(10-4-8-16)12-13-6-7-15-14(11-13)5-3-9-17-15/h3,5-7,9,11H,2,4,8,10,12H2,1H3
InChIKeySUTMBFALZVSLPB-UHFFFAOYSA-N
XLogP3.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine
CID 79660851
1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine
CID 104555130
6-(2-chloroethyl)quinoline
CID 53404433
ethyl(quinolin-6-ylmethyl)phosphane
CID 142150955
ethane;ethylbenzene;6-ethylquinoline
CID 143817758
2-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 63387914
3-N-ethyl-3-N-(quinolin-6-ylmethyl)benzene-1,3-diamine
CID 63229505
2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine
CID 62008003
N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 16677797
4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline
CID 43458332
4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine
CID 106844355
3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine
CID 46962088

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine?
The IUPAC name of 3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine (CID 113469085) is 3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine?
The canonical SMILES for 3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine is CCN(CCCCl)Cc1ccc2ncccc2c1.
What is the InChIKey of 3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine?
The InChIKey is SUTMBFALZVSLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-2-18(10-4-8-16)12-13-6-7-15-14(11-13)5-3-9-17-15/h3,5-7,9,11H,2,4,8,10,12H2,1H3.
What are the key properties of 3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine?
3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine has a molecular weight of 262.78 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine is sourced from PubChem (CID 113469085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).