2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline

C17H27ClN2 — CID 81148757

IUPAC2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline
SMILESCCNCc1ccc(N(CC)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C17H27ClN2/c1-3-19-13-14-10-11-17(16(18)12-14)20(4-2)15-8-6-5-7-9-15/h10-12,15,19H,3-9,13H2,1-2H3
InChIKeyWSABGTLTNGLMRZ-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.61
Rot. Bonds6

About 2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline

2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline (PubChem CID 81148757) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline
PubChem CID81148757
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline
SMILESCCNCc1ccc(N(CC)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C17H27ClN2/c1-3-19-13-14-10-11-17(16(18)12-14)20(4-2)15-8-6-5-7-9-15/h10-12,15,19H,3-9,13H2,1-2H3
InChIKeyWSABGTLTNGLMRZ-UHFFFAOYSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-cyclopentyl-N-ethyl-4-(methylaminomethyl)aniline
CID 81149000
2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide
CID 81144136
2-bromo-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)aniline
CID 114062692
3-[2-chloro-N-cyclobutyl-4-(propylaminomethyl)anilino]propan-1-ol
CID 102864703
2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
CID 81147081
2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
CID 81143889
N-[2-chloro-4-(ethylaminomethyl)phenyl]-N,1-dimethylpiperidin-3-amine
CID 81148886
2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 63533268
N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)pyridin-2-amine
CID 62280816
N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614292
2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide
CID 62122770
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline
CID 81148688

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline?
The IUPAC name of 2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline (CID 81148757) is 2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline.
What is the SMILES notation for 2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline?
The canonical SMILES for 2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline is CCNCc1ccc(N(CC)C2CCCCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline?
The InChIKey is WSABGTLTNGLMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-3-19-13-14-10-11-17(16(18)12-14)20(4-2)15-8-6-5-7-9-15/h10-12,15,19H,3-9,13H2,1-2H3.
What are the key properties of 2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline?
2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline has a molecular weight of 294.87 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline is sourced from PubChem (CID 81148757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).