2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine

C17H27NO — CID 104659071

IUPAC2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine
SMILESCCCOc1ccccc1C1(N)CCCC(C)C1C
InChIInChI=1S/C17H27NO/c1-4-12-19-16-10-6-5-9-15(16)17(18)11-7-8-13(2)14(17)3/h5-6,9-10,13-14H,4,7-8,11-12,18H2,1-3H3
InChIKeyAWPQZNVRYNQEBQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.09
Rot. Bonds4

About 2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine

2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine (PubChem CID 104659071) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine
PubChem CID104659071
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine
SMILESCCCOc1ccccc1C1(N)CCCC(C)C1C
InChIInChI=1S/C17H27NO/c1-4-12-19-16-10-6-5-9-15(16)17(18)11-7-8-13(2)14(17)3/h5-6,9-10,13-14H,4,7-8,11-12,18H2,1-3H3
InChIKeyAWPQZNVRYNQEBQ-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol
CID 104658757
1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine
CID 64774969
1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine
CID 104659074
1-(2-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79680080
3-ethyl-1-(2-propoxyphenyl)cyclopentan-1-amine
CID 104659063
2-ethyl-1-(2-propoxyphenyl)cyclohexan-1-ol
CID 104658729
3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol
CID 107449859
1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 104658752
1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 104658943
1-(2-butoxyphenyl)cyclopropan-1-amine
CID 176600584
1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol
CID 104658449
3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 104658545

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine (CID 104659071) is 2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine is CCCOc1ccccc1C1(N)CCCC(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine?
The InChIKey is AWPQZNVRYNQEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-12-19-16-10-6-5-9-15(16)17(18)11-7-8-13(2)14(17)3/h5-6,9-10,13-14H,4,7-8,11-12,18H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine?
2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 104659071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).