3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine

C18H29NO — CID 64733234

IUPAC3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)CC(NCc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C18H29NO/c1-13(2)20-18-7-5-16(6-8-18)12-19-17-10-14(3)9-15(4)11-17/h5-8,13-15,17,19H,9-12H2,1-4H3
InChIKeyHLGALLZKTUSFRT-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.39
Rot. Bonds5

About 3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine

3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 64733234) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
PubChem CID64733234
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)CC(NCc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C18H29NO/c1-13(2)20-18-7-5-16(6-8-18)12-19-17-10-14(3)9-15(4)11-17/h5-8,13-15,17,19H,9-12H2,1-4H3
InChIKeyHLGALLZKTUSFRT-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine
CID 103701618
N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
CID 115118837
N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560755
N-[(4-tert-butylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734413
N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline
CID 104860033
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43434809
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43082013
3-methyl-N-[(4-trimethylsilylphenyl)methyl]cyclobutan-1-amine
CID 103438072
1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine
CID 61170766
1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 43768490

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine (CID 64733234) is 3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine is CC1CC(C)CC(NCc2ccc(OC(C)C)cc2)C1.
What is the InChIKey of 3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is HLGALLZKTUSFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13(2)20-18-7-5-16(6-8-18)12-19-17-10-14(3)9-15(4)11-17/h5-8,13-15,17,19H,9-12H2,1-4H3.
What are the key properties of 3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine?
3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64733234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).