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

C19H31N — CID 78911515

IUPAC4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccccc1CCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H31N/c1-15-7-5-6-8-16(15)13-14-20-18-11-9-17(10-12-18)19(2,3)4/h5-8,17-18,20H,9-14H2,1-4H3
InChIKeyPHUSWIFWCFQLKS-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.73
Rot. Bonds4

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

4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine (PubChem CID 78911515) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
PubChem CID78911515
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccccc1CCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H31N/c1-15-7-5-6-8-16(15)13-14-20-18-11-9-17(10-12-18)19(2,3)4/h5-8,17-18,20H,9-14H2,1-4H3
InChIKeyPHUSWIFWCFQLKS-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 783786
3-ethyl-N-[2-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 79032945
N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 78911476
3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 79762958
4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol
CID 61239240
1-N-[2-(2-methylphenyl)ethyl]cyclohexane-1,3-diamine
CID 79763318
4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide
CID 79762949
3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 79763760
4-N-[2-(2-methylphenyl)ethyl]cyclohexene-1,4-diamine
CID 70892649
N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115464133
N-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline
CID 63448569
4-tert-butyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103698883

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine (CID 78911515) is 4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine is Cc1ccccc1CCNC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is PHUSWIFWCFQLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-15-7-5-6-8-16(15)13-14-20-18-11-9-17(10-12-18)19(2,3)4/h5-8,17-18,20H,9-14H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine?
4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 78911515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).