2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone

C15H19NO — CID 106655576

IUPAC2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone
SMILESNCc1ccccc1CC(=O)C1=CCCCC1
InChIInChI=1S/C15H19NO/c16-11-14-9-5-4-8-13(14)10-15(17)12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11,16H2
InChIKeyHKRNWDLEBMSZRX-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.76
Rot. Bonds4

About 2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone

2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone (PubChem CID 106655576) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone
PubChem CID106655576
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone
SMILESNCc1ccccc1CC(=O)C1=CCCCC1
InChIInChI=1S/C15H19NO/c16-11-14-9-5-4-8-13(14)10-15(17)12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11,16H2
InChIKeyHKRNWDLEBMSZRX-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone
CID 62077966
1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone
CID 103447987
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one
CID 106656000
2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone
CID 103450421
1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone
CID 103450531
1-[(1E)-cycloocten-1-yl]-2-(4-methylphenyl)ethanone
CID 106651792
2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone
CID 103450475
1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone
CID 103450496
2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone
CID 103448194
2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone
CID 103449893
1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 103449970

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone (CID 106655576) is 2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone is NCc1ccccc1CC(=O)C1=CCCCC1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone?
The InChIKey is HKRNWDLEBMSZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c16-11-14-9-5-4-8-13(14)10-15(17)12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11,16H2.
What are the key properties of 2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone?
2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone has a molecular weight of 229.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone is sourced from PubChem (CID 106655576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).