3-[(4-ethylphenyl)methyl]cyclohexan-1-amine

C15H23N — CID 64506247

IUPAC3-[(4-ethylphenyl)methyl]cyclohexan-1-amine
SMILESCCc1ccc(CC2CCCC(N)C2)cc1
InChIInChI=1S/C15H23N/c1-2-12-6-8-13(9-7-12)10-14-4-3-5-15(16)11-14/h6-9,14-15H,2-5,10-11,16H2,1H3
InChIKeyAMSIRTXBDLIFRP-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.31
Rot. Bonds3

About 3-[(4-ethylphenyl)methyl]cyclohexan-1-amine

3-[(4-ethylphenyl)methyl]cyclohexan-1-amine (PubChem CID 64506247) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(4-ethylphenyl)methyl]cyclohexan-1-amine
PubChem CID64506247
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-[(4-ethylphenyl)methyl]cyclohexan-1-amine
SMILESCCc1ccc(CC2CCCC(N)C2)cc1
InChIInChI=1S/C15H23N/c1-2-12-6-8-13(9-7-12)10-14-4-3-5-15(16)11-14/h6-9,14-15H,2-5,10-11,16H2,1H3
InChIKeyAMSIRTXBDLIFRP-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(4-ethylphenyl)methyl]cyclohexan-1-amine (CID 64506247) is 3-[(4-ethylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(4-ethylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(4-ethylphenyl)methyl]cyclohexan-1-amine is CCc1ccc(CC2CCCC(N)C2)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is AMSIRTXBDLIFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-2-12-6-8-13(9-7-12)10-14-4-3-5-15(16)11-14/h6-9,14-15H,2-5,10-11,16H2,1H3.
What are the key properties of 3-[(4-ethylphenyl)methyl]cyclohexan-1-amine?
3-[(4-ethylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64506247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).