N-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine

C19H31N — CID 79436985

IUPACN-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine
SMILESCc1cccc(C(CNCC(C)C)C2CCCCC2)c1
InChIInChI=1S/C19H31N/c1-15(2)13-20-14-19(17-9-5-4-6-10-17)18-11-7-8-16(3)12-18/h7-8,11-12,15,17,19-20H,4-6,9-10,13-14H2,1-3H3
InChIKeyHKBQNQUBCUMTTD-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.90
Rot. Bonds6

About N-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine

N-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine (PubChem CID 79436985) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine
PubChem CID79436985
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine
SMILESCc1cccc(C(CNCC(C)C)C2CCCCC2)c1
InChIInChI=1S/C19H31N/c1-15(2)13-20-14-19(17-9-5-4-6-10-17)18-11-7-8-16(3)12-18/h7-8,11-12,15,17,19-20H,4-6,9-10,13-14H2,1-3H3
InChIKeyHKBQNQUBCUMTTD-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 82932645
N-(2-cyclopentyl-2-phenylethyl)-2-methylpropan-1-amine
CID 82934095
2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine
CID 82933659
N-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine
CID 82937102
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 104819456
2-cyclopropyl-2-(3-methylphenyl)ethanol
CID 104819581
N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine
CID 82936298
3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride
CID 19938397
2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 82936496
1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402
1-cyclohexyl-N-methyl-1-(3-methylphenyl)methanamine
CID 60818000
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine (CID 79436985) is N-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine is Cc1cccc(C(CNCC(C)C)C2CCCCC2)c1.
What is the InChIKey of N-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine?
The InChIKey is HKBQNQUBCUMTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-15(2)13-20-14-19(17-9-5-4-6-10-17)18-11-7-8-16(3)12-18/h7-8,11-12,15,17,19-20H,4-6,9-10,13-14H2,1-3H3.
What are the key properties of N-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine?
N-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79436985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).