(2-aminophenyl)-(3-phenylmethoxyphenyl)methanone

C20H17NO2 — CID 14903626

IUPAC(2-aminophenyl)-(3-phenylmethoxyphenyl)methanone
SMILESNc1ccccc1C(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H17NO2/c21-19-12-5-4-11-18(19)20(22)16-9-6-10-17(13-16)23-14-15-7-2-1-3-8-15/h1-13H,14,21H2
InChIKeyRLBYOIWRXKBSQI-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.08
Rot. Bonds5

About (2-aminophenyl)-(3-phenylmethoxyphenyl)methanone

(2-aminophenyl)-(3-phenylmethoxyphenyl)methanone (PubChem CID 14903626) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2-aminophenyl)-(3-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(3-phenylmethoxyphenyl)methanone
PubChem CID14903626
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name(2-aminophenyl)-(3-phenylmethoxyphenyl)methanone
SMILESNc1ccccc1C(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H17NO2/c21-19-12-5-4-11-18(19)20(22)16-9-6-10-17(13-16)23-14-15-7-2-1-3-8-15/h1-13H,14,21H2
InChIKeyRLBYOIWRXKBSQI-UHFFFAOYSA-N
XLogP4.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250
furan-3-yl-(3-phenylmethoxyphenyl)methanone
CID 105099100
(3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 139998211
(2-aminophenyl)-phenylmethanone
CID 158207972
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 70190872
2-methyl-N'-(3-phenylmethoxybenzoyl)benzohydrazide
CID 46520493
(2-bromo-3-pyridinyl)-[3-[(4-methylphenyl)methoxy]phenyl]methanone
CID 139998037
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891
(E)-3-(3-phenylmethoxyphenyl)but-2-enoic acid
CID 68732642
ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate
CID 69253409
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(3-phenylmethoxyphenyl)methanone?
The IUPAC name of (2-aminophenyl)-(3-phenylmethoxyphenyl)methanone (CID 14903626) is (2-aminophenyl)-(3-phenylmethoxyphenyl)methanone.
What is the SMILES notation for (2-aminophenyl)-(3-phenylmethoxyphenyl)methanone?
The canonical SMILES for (2-aminophenyl)-(3-phenylmethoxyphenyl)methanone is Nc1ccccc1C(=O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of (2-aminophenyl)-(3-phenylmethoxyphenyl)methanone?
The InChIKey is RLBYOIWRXKBSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c21-19-12-5-4-11-18(19)20(22)16-9-6-10-17(13-16)23-14-15-7-2-1-3-8-15/h1-13H,14,21H2.
What are the key properties of (2-aminophenyl)-(3-phenylmethoxyphenyl)methanone?
(2-aminophenyl)-(3-phenylmethoxyphenyl)methanone has a molecular weight of 303.36 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(3-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 14903626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).