1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine

C14H17ClN2 — CID 104555130

IUPAC1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine
SMILESCC(CCl)N(C)Cc1ccc2ncccc2c1
InChIInChI=1S/C14H17ClN2/c1-11(9-15)17(2)10-12-5-6-14-13(8-12)4-3-7-16-14/h3-8,11H,9-10H2,1-2H3
InChIKeyNDXJZOBMSYGDIX-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.29
Rot. Bonds4

About 1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine

1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine (PubChem CID 104555130) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine
PubChem CID104555130
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine
SMILESCC(CCl)N(C)Cc1ccc2ncccc2c1
InChIInChI=1S/C14H17ClN2/c1-11(9-15)17(2)10-12-5-6-14-13(8-12)4-3-7-16-14/h3-8,11H,9-10H2,1-2H3
InChIKeyNDXJZOBMSYGDIX-UHFFFAOYSA-N
XLogP3.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 63387914
1-[methyl(quinolin-6-ylmethyl)amino]propan-2-ol
CID 62335047
3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 113469085
4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline
CID 43458332
2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid
CID 55007348
6-(2-chloroethyl)quinoline
CID 53404433
N-methyl-N-(quinolin-6-ylmethyl)piperidin-4-amine
CID 43607729
2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
CID 102637488
1-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropan-2-amine
CID 104555121
ethyl(quinolin-6-ylmethyl)phosphane
CID 142150955
ethane;ethylbenzene;6-ethylquinoline
CID 143817758
2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide
CID 86286582

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine?
The IUPAC name of 1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine (CID 104555130) is 1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine?
The canonical SMILES for 1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine is CC(CCl)N(C)Cc1ccc2ncccc2c1.
What is the InChIKey of 1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine?
The InChIKey is NDXJZOBMSYGDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-11(9-15)17(2)10-12-5-6-14-13(8-12)4-3-7-16-14/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine?
1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine has a molecular weight of 248.76 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine is sourced from PubChem (CID 104555130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).