N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine

C19H31N — CID 63994093

IUPACN-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2ccc(C(C)(C)C)cc2)C(C)C1
InChIInChI=1S/C19H31N/c1-14-6-11-18(15(2)12-14)20-13-16-7-9-17(10-8-16)19(3,4)5/h7-10,14-15,18,20H,6,11-13H2,1-5H3
InChIKeyKDTZLDVAXHBBRG-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.90
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine

N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 63994093) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID63994093
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2ccc(C(C)(C)C)cc2)C(C)C1
InChIInChI=1S/C19H31N/c1-14-6-11-18(15(2)12-14)20-13-16-7-9-17(10-8-16)19(3,4)5/h7-10,14-15,18,20H,6,11-13H2,1-5H3
InChIKeyKDTZLDVAXHBBRG-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55194302
N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994501
N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994455
4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline
CID 64776351
N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine
CID 63995059
N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66474224
N-[(4-tert-butylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734413
N-[(3,5-dichlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993891
N-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64774535
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol
CID 113423514
N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994116
2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 63994271

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine (CID 63994093) is N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine is CC1CCC(NCc2ccc(C(C)(C)C)cc2)C(C)C1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is KDTZLDVAXHBBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-14-6-11-18(15(2)12-14)20-13-16-7-9-17(10-8-16)19(3,4)5/h7-10,14-15,18,20H,6,11-13H2,1-5H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63994093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).