5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline

C18H29ClN2 — CID 114849309

IUPAC5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
SMILESCCNCc1ccc(Cl)cc1N(C)C1CCC(CC)CC1
InChIInChI=1S/C18H29ClN2/c1-4-14-6-10-17(11-7-14)21(3)18-12-16(19)9-8-15(18)13-20-5-2/h8-9,12,14,17,20H,4-7,10-11,13H2,1-3H3
InChIKeyMFQMFHFMEWMUOR-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.85
Rot. Bonds6

About 5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline

5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline (PubChem CID 114849309) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline.

Molecular Properties

Compound Name5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
PubChem CID114849309
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
SMILESCCNCc1ccc(Cl)cc1N(C)C1CCC(CC)CC1
InChIInChI=1S/C18H29ClN2/c1-4-14-6-10-17(11-7-14)21(3)18-12-16(19)9-8-15(18)13-20-5-2/h8-9,12,14,17,20H,4-7,10-11,13H2,1-3H3
InChIKeyMFQMFHFMEWMUOR-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

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Related Compounds

2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline
CID 114861531
5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847949
5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114847908
4-chloro-2-[(4-ethylcyclohexyl)-methylamino]benzenecarbothioamide
CID 63518376
5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline
CID 43280842
5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114849223
2-N-[5-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190004
5-chloro-N-methyl-N-(2-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114850043
N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313923
1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851050
N-[2-[(tert-butylamino)methyl]-5-chlorophenyl]-N-methyloxan-4-amine
CID 114848548
N-[5-chloro-2-(chloromethyl)phenyl]-N-methylcycloheptanamine
CID 114846425

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline?
The IUPAC name of 5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline (CID 114849309) is 5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline.
What is the SMILES notation for 5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline?
The canonical SMILES for 5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline is CCNCc1ccc(Cl)cc1N(C)C1CCC(CC)CC1.
What is the InChIKey of 5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline?
The InChIKey is MFQMFHFMEWMUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-4-14-6-10-17(11-7-14)21(3)18-12-16(19)9-8-15(18)13-20-5-2/h8-9,12,14,17,20H,4-7,10-11,13H2,1-3H3.
What are the key properties of 5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline?
5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline 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-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline is sourced from PubChem (CID 114849309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).