4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine

C20H33N — CID 63448931

IUPAC4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccc(C(C)NC2CCC(C(C)(C)C)CC2)c(C)c1
InChIInChI=1S/C20H33N/c1-14-7-12-19(15(2)13-14)16(3)21-18-10-8-17(9-11-18)20(4,5)6/h7,12-13,16-18,21H,8-11H2,1-6H3
InChIKeyHNYQLWAVALBMGZ-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.56
Rot. Bonds3

About 4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine

4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine (PubChem CID 63448931) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine
PubChem CID63448931
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccc(C(C)NC2CCC(C(C)(C)C)CC2)c(C)c1
InChIInChI=1S/C20H33N/c1-14-7-12-19(15(2)13-14)16(3)21-18-10-8-17(9-11-18)20(4,5)6/h7,12-13,16-18,21H,8-11H2,1-6H3
InChIKeyHNYQLWAVALBMGZ-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81355631
4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine
CID 60663519
N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine
CID 130625932
4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine
CID 28528172
4-tert-butyl-N-[1-(2-chlorophenyl)ethyl]cycloheptan-1-amine
CID 65089807
N-[1-(2,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358185
4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 28544170
N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine
CID 16773686
4-tert-butyl-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexan-1-amine
CID 29045070
N-[(1S)-1-(4-bromophenyl)ethyl]-4-tert-butylcycloheptan-1-amine
CID 81356835
4-tert-butyl-N-[1-(3-chlorophenyl)ethyl]cycloheptan-1-amine
CID 65089853
5-methyl-2-[1-(thian-4-ylamino)ethyl]phenol
CID 104583138

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine (CID 63448931) is 4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine is Cc1ccc(C(C)NC2CCC(C(C)(C)C)CC2)c(C)c1.
What is the InChIKey of 4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is HNYQLWAVALBMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-14-7-12-19(15(2)13-14)16(3)21-18-10-8-17(9-11-18)20(4,5)6/h7,12-13,16-18,21H,8-11H2,1-6H3.
What are the key properties of 4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine?
4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 63448931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).