4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline

C17H27ClN2 — CID 81166154

IUPAC4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline
SMILESCC(N)Cc1ccc(N(C)C2CCCC(C)C2)c(Cl)c1
InChIInChI=1S/C17H27ClN2/c1-12-5-4-6-15(9-12)20(3)17-8-7-14(10-13(2)19)11-16(17)18/h7-8,11-13,15H,4-6,9-10,19H2,1-3H3
InChIKeyDFEZREJDEPYECA-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.24
Rot. Bonds4

About 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline

4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline (PubChem CID 81166154) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline
PubChem CID81166154
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline
SMILESCC(N)Cc1ccc(N(C)C2CCCC(C)C2)c(Cl)c1
InChIInChI=1S/C17H27ClN2/c1-12-5-4-6-15(9-12)20(3)17-8-7-14(10-13(2)19)11-16(17)18/h7-8,11-13,15H,4-6,9-10,19H2,1-3H3
InChIKeyDFEZREJDEPYECA-UHFFFAOYSA-N
XLogP4.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 81151401
N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 81159630
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 81147848
4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline
CID 63786126
5-(2-aminopropyl)-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine
CID 80634729
4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline
CID 81165762
2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline
CID 55235233
4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 81165921
4-(2-aminopropyl)-N-(4-ethylcyclohexyl)-N,2-dimethylaniline
CID 63816201
N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81165775
4-chloro-2-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 114846499
2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline
CID 81149552

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline (CID 81166154) is 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline is CC(N)Cc1ccc(N(C)C2CCCC(C)C2)c(Cl)c1.
What is the InChIKey of 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline?
The InChIKey is DFEZREJDEPYECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-12-5-4-6-15(9-12)20(3)17-8-7-14(10-13(2)19)11-16(17)18/h7-8,11-13,15H,4-6,9-10,19H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline?
4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline has a molecular weight of 294.87 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 81166154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).