1-[1-(4-phenylphenyl)cyclohexyl]ethanamine

C20H25N — CID 24860899

IUPAC1-[1-(4-phenylphenyl)cyclohexyl]ethanamine
SMILESCC(N)C1(c2ccc(-c3ccccc3)cc2)CCCCC1
InChIInChI=1S/C20H25N/c1-16(21)20(14-6-3-7-15-20)19-12-10-18(11-13-19)17-8-4-2-5-9-17/h2,4-5,8-13,16H,3,6-7,14-15,21H2,1H3
InChIKeyCELRKOSFIVSEBS-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.90
Rot. Bonds3

About 1-[1-(4-phenylphenyl)cyclohexyl]ethanamine

1-[1-(4-phenylphenyl)cyclohexyl]ethanamine (PubChem CID 24860899) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[1-(4-phenylphenyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-phenylphenyl)cyclohexyl]ethanamine
PubChem CID24860899
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name1-[1-(4-phenylphenyl)cyclohexyl]ethanamine
SMILESCC(N)C1(c2ccc(-c3ccccc3)cc2)CCCCC1
InChIInChI=1S/C20H25N/c1-16(21)20(14-6-3-7-15-20)19-12-10-18(11-13-19)17-8-4-2-5-9-17/h2,4-5,8-13,16H,3,6-7,14-15,21H2,1H3
InChIKeyCELRKOSFIVSEBS-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-phenylphenyl)cyclohexyl]ethanamine?
The IUPAC name of 1-[1-(4-phenylphenyl)cyclohexyl]ethanamine (CID 24860899) is 1-[1-(4-phenylphenyl)cyclohexyl]ethanamine.
What is the SMILES notation for 1-[1-(4-phenylphenyl)cyclohexyl]ethanamine?
The canonical SMILES for 1-[1-(4-phenylphenyl)cyclohexyl]ethanamine is CC(N)C1(c2ccc(-c3ccccc3)cc2)CCCCC1.
What is the InChIKey of 1-[1-(4-phenylphenyl)cyclohexyl]ethanamine?
The InChIKey is CELRKOSFIVSEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-16(21)20(14-6-3-7-15-20)19-12-10-18(11-13-19)17-8-4-2-5-9-17/h2,4-5,8-13,16H,3,6-7,14-15,21H2,1H3.
What are the key properties of 1-[1-(4-phenylphenyl)cyclohexyl]ethanamine?
1-[1-(4-phenylphenyl)cyclohexyl]ethanamine has a molecular weight of 279.43 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-phenylphenyl)cyclohexyl]ethanamine is sourced from PubChem (CID 24860899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).