3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine

C15H19ClN2 — CID 115363507

IUPAC3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
SMILESCC(C)(CCl)CNCc1ccc2ncccc2c1
InChIInChI=1S/C15H19ClN2/c1-15(2,10-16)11-17-9-12-5-6-14-13(8-12)4-3-7-18-14/h3-8,17H,9-11H2,1-2H3
InChIKeyMFDNIKVBELCWJS-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.59
Rot. Bonds5

About 3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine

3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine (PubChem CID 115363507) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
PubChem CID115363507
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
SMILESCC(C)(CCl)CNCc1ccc2ncccc2c1
InChIInChI=1S/C15H19ClN2/c1-15(2,10-16)11-17-9-12-5-6-14-13(8-12)4-3-7-18-14/h3-8,17H,9-11H2,1-2H3
InChIKeyMFDNIKVBELCWJS-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine
CID 106844355
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 63306756
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol
CID 104881406
2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine
CID 113234424
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
3,3-dimethyl-4-quinolin-6-ylbutan-1-amine
CID 116997321
3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol
CID 115630613
2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol
CID 107850850
6-(2-chloroethyl)quinoline
CID 53404433
N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide
CID 43546001

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine (CID 115363507) is 3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine is CC(C)(CCl)CNCc1ccc2ncccc2c1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine?
The InChIKey is MFDNIKVBELCWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-15(2,10-16)11-17-9-12-5-6-14-13(8-12)4-3-7-18-14/h3-8,17H,9-11H2,1-2H3.
What are the key properties of 3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine?
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine has a molecular weight of 262.78 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine is sourced from PubChem (CID 115363507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).