2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine

C14H17ClN2 — CID 79240214

IUPAC2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine
SMILESCC(Cl)CN(C)Cc1ccnc2ccccc12
InChIInChI=1S/C14H17ClN2/c1-11(15)9-17(2)10-12-7-8-16-14-6-4-3-5-13(12)14/h3-8,11H,9-10H2,1-2H3
InChIKeySHLDOMJWBZGVRE-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.29
Rot. Bonds4

About 2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine

2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine (PubChem CID 79240214) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine
PubChem CID79240214
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine
SMILESCC(Cl)CN(C)Cc1ccnc2ccccc12
InChIInChI=1S/C14H17ClN2/c1-11(15)9-17(2)10-12-7-8-16-14-6-4-3-5-13(12)14/h3-8,11H,9-10H2,1-2H3
InChIKeySHLDOMJWBZGVRE-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'}

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Related Compounds

4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol
CID 115883104
2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
CID 79235329
N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine
CID 79234831
4-(2-chlorobutyl)quinoline
CID 63203241
2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
CID 65063950
N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 79235712
3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
CID 79234905
4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 28642233
N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide
CID 56863740
N-methyl-1-(3-methyl-2-pyridinyl)-N-(quinolin-4-ylmethyl)propan-2-amine
CID 50976505
2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine
CID 80680315
2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol
CID 107485059

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine?
The IUPAC name of 2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine (CID 79240214) is 2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine is CC(Cl)CN(C)Cc1ccnc2ccccc12.
What is the InChIKey of 2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine?
The InChIKey is SHLDOMJWBZGVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-11(15)9-17(2)10-12-7-8-16-14-6-4-3-5-13(12)14/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine?
2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-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 2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 79240214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).