1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine

C17H21ClN2 — CID 79241209

IUPAC1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
SMILESCc1cc(CNCC2CCCC2Cl)c2ccccc2n1
InChIInChI=1S/C17H21ClN2/c1-12-9-14(15-6-2-3-8-17(15)20-12)11-19-10-13-5-4-7-16(13)18/h2-3,6,8-9,13,16,19H,4-5,7,10-11H2,1H3
InChIKeyUUXBZEASDZLKOV-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.04
Rot. Bonds4

About 1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine

1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine (PubChem CID 79241209) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
PubChem CID79241209
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
SMILESCc1cc(CNCC2CCCC2Cl)c2ccccc2n1
InChIInChI=1S/C17H21ClN2/c1-12-9-14(15-6-2-3-8-17(15)20-12)11-19-10-13-5-4-7-16(13)18/h2-3,6,8-9,13,16,19H,4-5,7,10-11H2,1H3
InChIKeyUUXBZEASDZLKOV-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.04
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

1-(2-methylcyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 107416963
2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine
CID 79033204
2-[(2-methylquinolin-4-yl)methylamino]cyclopentane-1-carbonitrile
CID 79234787
N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
4-ethyl-N-[(2-methylquinolin-4-yl)methyl]cyclohexan-1-amine
CID 78943048
1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine
CID 107310013
1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978652
N-(2-chlorocyclohexyl)-2-methylquinolin-4-amine
CID 65028937
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
N-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 78957492
N-[(4-methyl-3-pyridinyl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 114954791
1-(2-chlorocyclopentyl)-N-[(2-chloro-5-fluorophenyl)methyl]methanamine
CID 102620173

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine (CID 79241209) is 1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine is Cc1cc(CNCC2CCCC2Cl)c2ccccc2n1.
What is the InChIKey of 1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine?
The InChIKey is UUXBZEASDZLKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-12-9-14(15-6-2-3-8-17(15)20-12)11-19-10-13-5-4-7-16(13)18/h2-3,6,8-9,13,16,19H,4-5,7,10-11H2,1H3.
What are the key properties of 1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine?
1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine has a molecular weight of 288.82 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine is sourced from PubChem (CID 79241209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).