2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine

C19H31NO — CID 64762616

IUPAC2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NC(C)c2cccc(OC(C)C)c2)C(C)C1
InChIInChI=1S/C19H31NO/c1-13(2)21-18-8-6-7-17(12-18)16(5)20-19-10-9-14(3)11-15(19)4/h6-8,12-16,19-20H,9-11H2,1-5H3
InChIKeyBCWHUVGZAPIPFX-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.95
Rot. Bonds5

About 2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine

2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine (PubChem CID 64762616) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine
PubChem CID64762616
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NC(C)c2cccc(OC(C)C)c2)C(C)C1
InChIInChI=1S/C19H31NO/c1-13(2)21-18-8-6-7-17(12-18)16(5)20-19-10-9-14(3)11-15(19)4/h6-8,12-16,19-20H,9-11H2,1-5H3
InChIKeyBCWHUVGZAPIPFX-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 81375875
N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 63994085
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 81370541
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 81382365
2,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349071
N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694688
N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64774146
4-[1-[(2,4-dimethylcyclohexyl)amino]ethyl]benzonitrile
CID 63994071
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106661841
2,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81375454
[2-cyclopropyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105254134
(2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622085

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine (CID 64762616) is 2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine is CC1CCC(NC(C)c2cccc(OC(C)C)c2)C(C)C1.
What is the InChIKey of 2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is BCWHUVGZAPIPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-13(2)21-18-8-6-7-17(12-18)16(5)20-19-10-9-14(3)11-15(19)4/h6-8,12-16,19-20H,9-11H2,1-5H3.
What are the key properties of 2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine?
2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64762616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).