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

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CID 2801
Clomipramine Hydrochloride
CID 68539
Norclomipramine
CID 622606
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CID 693767
Didemethylclomipramine
CID 3085253
2-[4-(5-Chloro-2-methylphenyl)piperazin-1-yl]ethanamine
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N-(3-Chloro-P-tolyl)-4-methylbenzylamine
CID 292905
N-Oxide chlorimipramine
CID 29976360
N-Desmethyl Clomipramine Hydrochloride
CID 16219718
2-(5-Chloro-2-methylanilino)-2-phenylacetonitrile
CID 2732646
7-Chloro-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
CID 9859144
(S)-2-(6-Chloro-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 18735313

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).