3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline

C18H29ClN2 — CID 43280959

IUPAC3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline
SMILESCCCNCc1c(Cl)cccc1N(CC)C1CCCCC1
InChIInChI=1S/C18H29ClN2/c1-3-13-20-14-16-17(19)11-8-12-18(16)21(4-2)15-9-6-5-7-10-15/h8,11-12,15,20H,3-7,9-10,13-14H2,1-2H3
InChIKeyWYZKGMRBZAZVLT-UHFFFAOYSA-N
MW308.90 g/mol
LogP5.00
Rot. Bonds7

About 3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline

3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline (PubChem CID 43280959) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline
PubChem CID43280959
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline
SMILESCCCNCc1c(Cl)cccc1N(CC)C1CCCCC1
InChIInChI=1S/C18H29ClN2/c1-3-13-20-14-16-17(19)11-8-12-18(16)21(4-2)15-9-6-5-7-10-15/h8,11-12,15,20H,3-7,9-10,13-14H2,1-2H3
InChIKeyWYZKGMRBZAZVLT-UHFFFAOYSA-N
XLogP5.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 55.00
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

3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63059854
[2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol
CID 28945722
2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline
CID 28965176
3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline
CID 43541411
3-chloro-1-N-cyclopentyl-1-N-ethylbenzene-1,2-diamine
CID 104834130
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline
CID 43313789
N-[3-chloro-2-(propylaminomethyl)phenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648945
N-cyclopentyl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072971
N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63059978
N-[[2-chloro-6-(2-ethylazepan-1-yl)phenyl]methyl]propan-1-amine
CID 104690803
N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 43281753

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline?
The IUPAC name of 3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline (CID 43280959) is 3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline.
What is the SMILES notation for 3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline?
The canonical SMILES for 3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline is CCCNCc1c(Cl)cccc1N(CC)C1CCCCC1.
What is the InChIKey of 3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline?
The InChIKey is WYZKGMRBZAZVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-3-13-20-14-16-17(19)11-8-12-18(16)21(4-2)15-9-6-5-7-10-15/h8,11-12,15,20H,3-7,9-10,13-14H2,1-2H3.
What are the key properties of 3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline?
3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline has a molecular weight of 308.90 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline is sourced from PubChem (CID 43280959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).