5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline

C18H29ClN2 — CID 114849223

IUPAC5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(Cl)cc1N(C)C1CCCC(C)C1
InChIInChI=1S/C18H29ClN2/c1-4-10-20-13-15-8-9-16(19)12-18(15)21(3)17-7-5-6-14(2)11-17/h8-9,12,14,17,20H,4-7,10-11,13H2,1-3H3
InChIKeyOHXHUOPDIZHLTK-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.85
Rot. Bonds6

About 5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline

5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline (PubChem CID 114849223) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
PubChem CID114849223
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(Cl)cc1N(C)C1CCCC(C)C1
InChIInChI=1S/C18H29ClN2/c1-4-10-20-13-15-8-9-16(19)12-18(15)21(3)17-7-5-6-14(2)11-17/h8-9,12,14,17,20H,4-7,10-11,13H2,1-3H3
InChIKeyOHXHUOPDIZHLTK-UHFFFAOYSA-N
XLogP4.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.85
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-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847949
N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 63551560
5-chloro-N-methyl-N-(2-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114850043
4-chloro-N-cyclohexyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847451
4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline
CID 114849226
4-chloro-2-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 114846499
5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114847908
[5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 114845376
5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 114849898
5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 114849309
N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 43281753
N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114851389

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline?
The IUPAC name of 5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline (CID 114849223) is 5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline.
What is the SMILES notation for 5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline?
The canonical SMILES for 5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline is CCCNCc1ccc(Cl)cc1N(C)C1CCCC(C)C1.
What is the InChIKey of 5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline?
The InChIKey is OHXHUOPDIZHLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-4-10-20-13-15-8-9-16(19)12-18(15)21(3)17-7-5-6-14(2)11-17/h8-9,12,14,17,20H,4-7,10-11,13H2,1-3H3.
What are the key properties of 5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline?
5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline has a molecular weight of 308.90 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline is sourced from PubChem (CID 114849223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).