N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine

C19H31N — CID 63451644

IUPACN-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCCC1CCC(CNC(c2ccccc2)C(C)C)CC1
InChIInChI=1S/C19H31N/c1-4-16-10-12-17(13-11-16)14-20-19(15(2)3)18-8-6-5-7-9-18/h5-9,15-17,19-20H,4,10-14H2,1-3H3
InChIKeyOOASYWLUFPARDJ-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.19
Rot. Bonds6

About N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine

N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine (PubChem CID 63451644) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine
PubChem CID63451644
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCCC1CCC(CNC(c2ccccc2)C(C)C)CC1
InChIInChI=1S/C19H31N/c1-4-16-10-12-17(13-11-16)14-20-19(15(2)3)18-8-6-5-7-9-18/h5-9,15-17,19-20H,4,10-14H2,1-3H3
InChIKeyOOASYWLUFPARDJ-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707906
4-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79529940
3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol
CID 66004568
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225625
4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine
CID 65083894
2-methyl-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 54905602
N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine
CID 43734674
N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine
CID 55191785
1-(4-ethylcyclohexyl)ethylbenzene
CID 154060527
1-(4-chlorophenyl)-N-(cyclohexylmethyl)-2-methylpropan-1-amine
CID 43234095
2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine
CID 54940930
difluoromethylbenzene;ethylcyclopropane
CID 157034020

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine (CID 63451644) is N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine is CCC1CCC(CNC(c2ccccc2)C(C)C)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine?
The InChIKey is OOASYWLUFPARDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-16-10-12-17(13-11-16)14-20-19(15(2)3)18-8-6-5-7-9-18/h5-9,15-17,19-20H,4,10-14H2,1-3H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine?
N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 63451644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).