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

C17H27ClN2 — CID 63817071

IUPAC2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
SMILESCC(N)Cc1c(Cl)cccc1N(C)C1CCC(C)CC1
InChIInChI=1S/C17H27ClN2/c1-12-7-9-14(10-8-12)20(3)17-6-4-5-16(18)15(17)11-13(2)19/h4-6,12-14H,7-11,19H2,1-3H3
InChIKeyNYVUWJWKEUQJCS-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.24
Rot. Bonds4

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

2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline (PubChem CID 63817071) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
PubChem CID63817071
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
SMILESCC(N)Cc1c(Cl)cccc1N(C)C1CCC(C)CC1
InChIInChI=1S/C17H27ClN2/c1-12-7-9-14(10-8-12)20(3)17-6-4-5-16(18)15(17)11-13(2)19/h4-6,12-14H,7-11,19H2,1-3H3
InChIKeyNYVUWJWKEUQJCS-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

2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 61437395
2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline
CID 63817438
3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 43281657
N'-[2-(2-aminopropyl)-3-chlorophenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63816000
2-(2-aminopropyl)-3-chloro-N-(4-methoxyphenyl)-N-methylaniline
CID 63815282
2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline
CID 63815822
2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline
CID 78934792
3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 55241864
2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline
CID 55235233
2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline
CID 63817196
N-[2-(2-aminoethyl)-3-chlorophenyl]-N-methyloxan-4-amine
CID 63782228
4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline
CID 81166154

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline?
The IUPAC name of 2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline (CID 63817071) is 2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline is CC(N)Cc1c(Cl)cccc1N(C)C1CCC(C)CC1.
What is the InChIKey of 2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline?
The InChIKey is NYVUWJWKEUQJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-12-7-9-14(10-8-12)20(3)17-6-4-5-16(18)15(17)11-13(2)19/h4-6,12-14H,7-11,19H2,1-3H3.
What are the key properties of 2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline?
2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-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 2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline is sourced from PubChem (CID 63817071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).