(2-aminocyclohexyl)-(4-phenylphenyl)methanone

C19H21NO — CID 116579817

IUPAC(2-aminocyclohexyl)-(4-phenylphenyl)methanone
SMILESNC1CCCCC1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO/c20-18-9-5-4-8-17(18)19(21)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-3,6-7,10-13,17-18H,4-5,8-9,20H2
InChIKeyPLFJULXTZQZDOO-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.05
Rot. Bonds3

About (2-aminocyclohexyl)-(4-phenylphenyl)methanone

(2-aminocyclohexyl)-(4-phenylphenyl)methanone (PubChem CID 116579817) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (2-aminocyclohexyl)-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name(2-aminocyclohexyl)-(4-phenylphenyl)methanone
PubChem CID116579817
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(2-aminocyclohexyl)-(4-phenylphenyl)methanone
SMILESNC1CCCCC1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO/c20-18-9-5-4-8-17(18)19(21)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-3,6-7,10-13,17-18H,4-5,8-9,20H2
InChIKeyPLFJULXTZQZDOO-UHFFFAOYSA-N
XLogP4.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-(4-phenylphenyl)methanone
CID 43337740
(2-aminocycloheptyl)-(4-tert-butylphenyl)methanone
CID 116595307
(2-aminocyclopentyl)-naphthalen-2-ylmethanone
CID 116580184
(2-aminocycloheptyl)-(2-chlorophenyl)methanone
CID 116595085
(2-aminocyclohexyl)-thiophen-3-ylmethanone
CID 116579819
(2-aminocyclohexyl)-(4-propoxyphenyl)methanone
CID 116579889
(2-aminocycloheptyl)-thiophen-3-ylmethanone
CID 116595140
(2-chlorocyclohexyl)-phenylmethanone
CID 15563657
2-benzoylcyclohexane-1-carbonyl chloride
CID 22288669
(2-methylcyclohexyl)-phenylmethanone
CID 13148606
1-(2-aminocyclohexyl)-2-phenylethanone
CID 116579753
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohexyl)-(4-phenylphenyl)methanone?
The IUPAC name of (2-aminocyclohexyl)-(4-phenylphenyl)methanone (CID 116579817) is (2-aminocyclohexyl)-(4-phenylphenyl)methanone.
What is the SMILES notation for (2-aminocyclohexyl)-(4-phenylphenyl)methanone?
The canonical SMILES for (2-aminocyclohexyl)-(4-phenylphenyl)methanone is NC1CCCCC1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2-aminocyclohexyl)-(4-phenylphenyl)methanone?
The InChIKey is PLFJULXTZQZDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c20-18-9-5-4-8-17(18)19(21)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-3,6-7,10-13,17-18H,4-5,8-9,20H2.
What are the key properties of (2-aminocyclohexyl)-(4-phenylphenyl)methanone?
(2-aminocyclohexyl)-(4-phenylphenyl)methanone has a molecular weight of 279.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclohexyl)-(4-phenylphenyl)methanone is sourced from PubChem (CID 116579817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).