2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline

C16H23ClN2 — CID 81149552

IUPAC2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline
SMILESCN(c1ccc(CNC2CC2)cc1Cl)C1CCCC1
InChIInChI=1S/C16H23ClN2/c1-19(14-4-2-3-5-14)16-9-6-12(10-15(16)17)11-18-13-7-8-13/h6,9-10,13-14,18H,2-5,7-8,11H2,1H3
InChIKeyKASGZZXFFALYJB-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.97
Rot. Bonds5

About 2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline

2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline (PubChem CID 81149552) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline
PubChem CID81149552
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline
SMILESCN(c1ccc(CNC2CC2)cc1Cl)C1CCCC1
InChIInChI=1S/C16H23ClN2/c1-19(14-4-2-3-5-14)16-9-6-12(10-15(16)17)11-18-13-7-8-13/h6,9-10,13-14,18H,2-5,7-8,11H2,1H3
InChIKeyKASGZZXFFALYJB-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 81147848
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol
CID 102633000
N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine
CID 63552456
2-chloro-N-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylaniline
CID 81149052
2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline
CID 81148855
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)aniline
CID 81149641
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81149095
4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 114061823
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide
CID 81143504
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
N-[2-chloro-4-[(propan-2-ylamino)methyl]phenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 81147444

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline?
The IUPAC name of 2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline (CID 81149552) is 2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline.
What is the SMILES notation for 2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline?
The canonical SMILES for 2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline is CN(c1ccc(CNC2CC2)cc1Cl)C1CCCC1.
What is the InChIKey of 2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline?
The InChIKey is KASGZZXFFALYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-19(14-4-2-3-5-14)16-9-6-12(10-15(16)17)11-18-13-7-8-13/h6,9-10,13-14,18H,2-5,7-8,11H2,1H3.
What are the key properties of 2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline?
2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline has a molecular weight of 278.83 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline is sourced from PubChem (CID 81149552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).