2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine

C16H21ClN2 — CID 63445426

IUPAC2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine
SMILESCCCCCN(C)c1cc(CCl)nc2ccccc12
InChIInChI=1S/C16H21ClN2/c1-3-4-7-10-19(2)16-11-13(12-17)18-15-9-6-5-8-14(15)16/h5-6,8-9,11H,3-4,7,10,12H2,1-2H3
InChIKeyRTCUWNQLKZKDTF-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.60
Rot. Bonds6

About 2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine

2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine (PubChem CID 63445426) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine
PubChem CID63445426
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine
SMILESCCCCCN(C)c1cc(CCl)nc2ccccc12
InChIInChI=1S/C16H21ClN2/c1-3-4-7-10-19(2)16-11-13(12-17)18-15-9-6-5-8-14(15)16/h5-6,8-9,11H,3-4,7,10,12H2,1-2H3
InChIKeyRTCUWNQLKZKDTF-UHFFFAOYSA-N
XLogP4.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutyl-2-(chloromethyl)quinolin-4-amine
CID 63445296
2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
CID 81061779
N-(5-chloropentyl)-N,2-dimethylquinolin-4-amine
CID 107205471
3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid
CID 122059531
2-(chloromethyl)-N-ethyl-N-phenylquinolin-4-amine
CID 63445504
2-(ethylaminomethyl)-N-methyl-N-propylquinolin-4-amine
CID 55183246
N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide
CID 133401980
N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine
CID 63374301
2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
CID 112663634
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine
CID 63377121
[4-[3-methoxypropyl(methyl)amino]quinolin-2-yl]methanol
CID 63375970
N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine
CID 63374302

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine?
The IUPAC name of 2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine (CID 63445426) is 2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine.
What is the SMILES notation for 2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine?
The canonical SMILES for 2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine is CCCCCN(C)c1cc(CCl)nc2ccccc12.
What is the InChIKey of 2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine?
The InChIKey is RTCUWNQLKZKDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-3-4-7-10-19(2)16-11-13(12-17)18-15-9-6-5-8-14(15)16/h5-6,8-9,11H,3-4,7,10,12H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine?
2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine has a molecular weight of 276.81 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine is sourced from PubChem (CID 63445426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).