(3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone

C20H18N2O2 — CID 175194329

IUPAC(3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone
SMILESNc1cccc(C(=O)c2ccc(N)c(OCc3ccccc3)c2)c1
InChIInChI=1S/C20H18N2O2/c21-17-8-4-7-15(11-17)20(23)16-9-10-18(22)19(12-16)24-13-14-5-2-1-3-6-14/h1-12H,13,21-22H2
InChIKeyKSIULFIOHGFAOQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.66
Rot. Bonds5

About (3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone

(3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone (PubChem CID 175194329) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone
PubChem CID175194329
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name(3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone
SMILESNc1cccc(C(=O)c2ccc(N)c(OCc3ccccc3)c2)c1
InChIInChI=1S/C20H18N2O2/c21-17-8-4-7-15(11-17)20(23)16-9-10-18(22)19(12-16)24-13-14-5-2-1-3-6-14/h1-12H,13,21-22H2
InChIKeyKSIULFIOHGFAOQ-UHFFFAOYSA-N
XLogP3.66
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
(3-aminophenyl)-phenylmethanone
CID 17817
4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 82069733
4-amino-3-[(3-methylphenyl)methoxy]benzoic acid
CID 43379889
benzyl 3-aminobenzoate;methanol
CID 142867139
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
(2-aminophenyl)-(3-phenylmethoxyphenyl)methanone
CID 14903626
4-iodo-2-phenylmethoxyaniline
CID 66756754
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
3-(3-aminobenzoyl)benzoic acid
CID 18974175
bis(3-nitro-4-phenylmethoxyphenyl)methanone
CID 21234669

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone?
The IUPAC name of (3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone (CID 175194329) is (3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone.
What is the SMILES notation for (3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone?
The canonical SMILES for (3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone is Nc1cccc(C(=O)c2ccc(N)c(OCc3ccccc3)c2)c1.
What is the InChIKey of (3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone?
The InChIKey is KSIULFIOHGFAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c21-17-8-4-7-15(11-17)20(23)16-9-10-18(22)19(12-16)24-13-14-5-2-1-3-6-14/h1-12H,13,21-22H2.
What are the key properties of (3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone?
(3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone has a molecular weight of 318.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 175194329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).