4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline

C17H28N2 — CID 61450845

IUPAC4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline
SMILESCCC1CCC(N(C)C(C)c2ccc(N)cc2)CC1
InChIInChI=1S/C17H28N2/c1-4-14-5-11-17(12-6-14)19(3)13(2)15-7-9-16(18)10-8-15/h7-10,13-14,17H,4-6,11-12,18H2,1-3H3
InChIKeyZTHIWRCNUWQDFE-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.23
Rot. Bonds4

About 4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline

4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline (PubChem CID 61450845) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline.

Molecular Properties

Compound Name4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline
PubChem CID61450845
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline
SMILESCCC1CCC(N(C)C(C)c2ccc(N)cc2)CC1
InChIInChI=1S/C17H28N2/c1-4-14-5-11-17(12-6-14)19(3)13(2)15-7-9-16(18)10-8-15/h7-10,13-14,17H,4-6,11-12,18H2,1-3H3
InChIKeyZTHIWRCNUWQDFE-UHFFFAOYSA-N
XLogP4.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol
CID 62265226
4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline
CID 78973906
4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline
CID 61443836
4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide
CID 119733265
2-N-(4-ethylcyclohexyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine
CID 79890644
4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol
CID 82986499
4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline
CID 54948492
2-N-(4-ethylcyclohexyl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 63473262
2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol
CID 82986196
N-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62413207
(E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide
CID 115343447
4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 155402155

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline?
The IUPAC name of 4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline (CID 61450845) is 4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline.
What is the SMILES notation for 4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline?
The canonical SMILES for 4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline is CCC1CCC(N(C)C(C)c2ccc(N)cc2)CC1.
What is the InChIKey of 4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline?
The InChIKey is ZTHIWRCNUWQDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-14-5-11-17(12-6-14)19(3)13(2)15-7-9-16(18)10-8-15/h7-10,13-14,17H,4-6,11-12,18H2,1-3H3.
What are the key properties of 4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline?
4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline has a molecular weight of 260.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline is sourced from PubChem (CID 61450845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).