4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine

C17H27NO — CID 65081135

IUPAC4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine
SMILESCCCOc1ccc(C2(N)CCCC(C)CC2)cc1
InChIInChI=1S/C17H27NO/c1-3-13-19-16-8-6-15(7-9-16)17(18)11-4-5-14(2)10-12-17/h6-9,14H,3-5,10-13,18H2,1-2H3
InChIKeyIIVHNEBMWYTOHY-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.23
Rot. Bonds4

About 4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine

4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine (PubChem CID 65081135) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine
PubChem CID65081135
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine
SMILESCCCOc1ccc(C2(N)CCCC(C)CC2)cc1
InChIInChI=1S/C17H27NO/c1-3-13-19-16-8-6-15(7-9-16)17(18)11-4-5-14(2)10-12-17/h6-9,14H,3-5,10-13,18H2,1-2H3
InChIKeyIIVHNEBMWYTOHY-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-(4-propoxyphenyl)cycloheptan-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

1-(4-propoxyphenyl)cyclohexane-1,4-diamine
CID 175562161
3,4-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-amine
CID 64733003
4-methyl-1-(4-propylphenyl)cycloheptan-1-amine
CID 65081348
4-methyl-1-(4-methylphenyl)cycloheptan-1-amine
CID 65080008
1-(3,4-diethoxyphenyl)-4-methylcycloheptan-1-amine
CID 65081082
1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine
CID 117316587
1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine
CID 117397303
1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine
CID 117309901
1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine
CID 62788660
4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine
CID 65090015
1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 54919370
1-(4-methylcyclohexyl)-4-[2-(4-propoxyphenyl)ethynyl]benzene
CID 58933295

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine?
The IUPAC name of 4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine (CID 65081135) is 4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine.
What is the SMILES notation for 4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine?
The canonical SMILES for 4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine is CCCOc1ccc(C2(N)CCCC(C)CC2)cc1.
What is the InChIKey of 4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine?
The InChIKey is IIVHNEBMWYTOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-13-19-16-8-6-15(7-9-16)17(18)11-4-5-14(2)10-12-17/h6-9,14H,3-5,10-13,18H2,1-2H3.
What are the key properties of 4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine?
4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine is sourced from PubChem (CID 65081135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).