1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine

C18H27N — CID 117397248

IUPAC1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccccc2C2CCCCCC2)CC1
InChIInChI=1S/C18H27N/c1-14(19)18(12-13-18)17-11-7-6-10-16(17)15-8-4-2-3-5-9-15/h6-7,10-11,14-15H,2-5,8-9,12-13,19H2,1H3
InChIKeyOOHSOYQWBFRHMN-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.50
Rot. Bonds3

About 1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine

1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine (PubChem CID 117397248) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine
PubChem CID117397248
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccccc2C2CCCCCC2)CC1
InChIInChI=1S/C18H27N/c1-14(19)18(12-13-18)17-11-7-6-10-16(17)15-8-4-2-3-5-9-15/h6-7,10-11,14-15H,2-5,8-9,12-13,19H2,1H3
InChIKeyOOHSOYQWBFRHMN-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(2-cyclohexylphenyl)cyclopropyl]ethanamine
CID 117360924
1-(2-cyclohexylphenyl)cyclohexan-1-amine
CID 117397261
1-cyclohexyl-2-(1-methylcyclopentyl)benzene
CID 54179575
[1-(2-cyclohexylphenyl)cyclobutyl]methanamine
CID 117360932
1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117436696
1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117402808
1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid
CID 117399697
1-(2-cyclohexylphenyl)cyclopropane-1-carboxylic acid
CID 117362895
1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine
CID 117460026
1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile
CID 117047551
1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine
CID 117118334
(1R)-1-(1-phenylcyclohexyl)ethanamine
CID 78998571

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine (CID 117397248) is 1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine is CC(N)C1(c2ccccc2C2CCCCCC2)CC1.
What is the InChIKey of 1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine?
The InChIKey is OOHSOYQWBFRHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-14(19)18(12-13-18)17-11-7-6-10-16(17)15-8-4-2-3-5-9-15/h6-7,10-11,14-15H,2-5,8-9,12-13,19H2,1H3.
What are the key properties of 1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine?
1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine has a molecular weight of 257.42 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117397248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).