(2-anilinocyclohexen-1-yl)-phenylmethanone

C19H19NO — CID 23578657

IUPAC(2-anilinocyclohexen-1-yl)-phenylmethanone
SMILESO=C(C1=C(Nc2ccccc2)CCCC1)c1ccccc1
InChIInChI=1S/C19H19NO/c21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20-16-11-5-2-6-12-16/h1-6,9-12,20H,7-8,13-14H2
InChIKeyXIUXGMNPEMHMOV-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.81
Rot. Bonds4

About (2-anilinocyclohexen-1-yl)-phenylmethanone

(2-anilinocyclohexen-1-yl)-phenylmethanone (PubChem CID 23578657) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (2-anilinocyclohexen-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-anilinocyclohexen-1-yl)-phenylmethanone
PubChem CID23578657
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(2-anilinocyclohexen-1-yl)-phenylmethanone
SMILESO=C(C1=C(Nc2ccccc2)CCCC1)c1ccccc1
InChIInChI=1S/C19H19NO/c21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20-16-11-5-2-6-12-16/h1-6,9-12,20H,7-8,13-14H2
InChIKeyXIUXGMNPEMHMOV-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-anilinocyclohexen-1-yl)-phenylmethanone?
The IUPAC name of (2-anilinocyclohexen-1-yl)-phenylmethanone (CID 23578657) is (2-anilinocyclohexen-1-yl)-phenylmethanone.
What is the SMILES notation for (2-anilinocyclohexen-1-yl)-phenylmethanone?
The canonical SMILES for (2-anilinocyclohexen-1-yl)-phenylmethanone is O=C(C1=C(Nc2ccccc2)CCCC1)c1ccccc1.
What is the InChIKey of (2-anilinocyclohexen-1-yl)-phenylmethanone?
The InChIKey is XIUXGMNPEMHMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20-16-11-5-2-6-12-16/h1-6,9-12,20H,7-8,13-14H2.
What are the key properties of (2-anilinocyclohexen-1-yl)-phenylmethanone?
(2-anilinocyclohexen-1-yl)-phenylmethanone has a molecular weight of 277.37 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinocyclohexen-1-yl)-phenylmethanone is sourced from PubChem (CID 23578657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).