5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline

C16H25ClN2 — CID 114847949

IUPAC5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(Cl)cc1N(C)C1CCCC1
InChIInChI=1S/C16H25ClN2/c1-3-10-18-12-13-8-9-14(17)11-16(13)19(2)15-6-4-5-7-15/h8-9,11,15,18H,3-7,10,12H2,1-2H3
InChIKeyWSNRFMKEPYKNKH-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.22
Rot. Bonds6

About 5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline

5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline (PubChem CID 114847949) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline.

Molecular Properties

Compound Name5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
PubChem CID114847949
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(Cl)cc1N(C)C1CCCC1
InChIInChI=1S/C16H25ClN2/c1-3-10-18-12-13-8-9-14(17)11-16(13)19(2)15-6-4-5-7-15/h8-9,11,15,18H,3-7,10,12H2,1-2H3
InChIKeyWSNRFMKEPYKNKH-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114849223
4-chloro-N-cyclohexyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847451
5-chloro-N-methyl-N-(2-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114850043
N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 43281753
5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114847908
5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 114849898
5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 114849309
N-[5-chloro-2-(chloromethyl)phenyl]-N-methylcycloheptanamine
CID 114846425
N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114851389
N-[2-(2-aminobutyl)-5-chlorophenyl]-N-methylcycloheptanamine
CID 114860719
5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline
CID 114849138
2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide
CID 114850140

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline?
The IUPAC name of 5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline (CID 114847949) is 5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline.
What is the SMILES notation for 5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline?
The canonical SMILES for 5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline is CCCNCc1ccc(Cl)cc1N(C)C1CCCC1.
What is the InChIKey of 5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline?
The InChIKey is WSNRFMKEPYKNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-10-18-12-13-8-9-14(17)11-16(13)19(2)15-6-4-5-7-15/h8-9,11,15,18H,3-7,10,12H2,1-2H3.
What are the key properties of 5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline?
5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline has a molecular weight of 280.84 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline is sourced from PubChem (CID 114847949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).