(3,4-diaminophenyl)-[3-(2-morpholin-2-ylpropoxy)phenyl]methanone

C20H25N3O3 — CID 21451424

IUPAC(3,4-diaminophenyl)-[3-(2-morpholin-2-ylpropoxy)phenyl]methanone
SMILESCC(COc1cccc(C(=O)c2ccc(N)c(N)c2)c1)C1CNCCO1
InChIInChI=1S/C20H25N3O3/c1-13(19-11-23-7-8-25-19)12-26-16-4-2-3-14(9-16)20(24)15-5-6-17(21)18(22)10-15/h2-6,9-10,13,19,23H,7-8,11-12,21-22H2,1H3
InChIKeyVTYQGFYUUARMRZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.09
Rot. Bonds6

About (3,4-diaminophenyl)-[3-(2-morpholin-2-ylpropoxy)phenyl]methanone

(3,4-diaminophenyl)-[3-(2-morpholin-2-ylpropoxy)phenyl]methanone (PubChem CID 21451424) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3,4-diaminophenyl)-[3-(2-morpholin-2-ylpropoxy)phenyl]methanone.

Molecular Properties

Compound Name(3,4-diaminophenyl)-[3-(2-morpholin-2-ylpropoxy)phenyl]methanone
PubChem CID21451424
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(3,4-diaminophenyl)-[3-(2-morpholin-2-ylpropoxy)phenyl]methanone
SMILESCC(COc1cccc(C(=O)c2ccc(N)c(N)c2)c1)C1CNCCO1
InChIInChI=1S/C20H25N3O3/c1-13(19-11-23-7-8-25-19)12-26-16-4-2-3-14(9-16)20(24)15-5-6-17(21)18(22)10-15/h2-6,9-10,13,19,23H,7-8,11-12,21-22H2,1H3
InChIKeyVTYQGFYUUARMRZ-UHFFFAOYSA-N
XLogP2.09
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3,4-diaminophenyl)-[3-(3-piperidin-3-ylpropoxy)phenyl]methanone
CID 54434751
(3,4-diaminophenyl)-[4-(2-morpholin-2-ylbutan-2-yloxy)phenyl]methanone
CID 54190454
(3,4-diaminophenyl)-[2-(1-morpholin-2-ylpropan-2-yloxy)phenyl]methanone
CID 21451538
3-(morpholin-2-ylmethoxy)benzoic acid
CID 174949498
(3,4-diaminophenyl)-[3-(4-morpholin-4-ylbutoxy)phenyl]methanone
CID 21451803
(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568424
(3,4-diaminophenyl)-[4-[2-(diethylamino)propoxy]phenyl]methanone
CID 21451825
(2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride
CID 119471460
[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401618
(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62797135
(3,4-diaminophenyl)-[2-(2-morpholin-4-ylpropoxy)phenyl]methanone
CID 154418436
O-[1-[(2R)-morpholin-2-yl]ethyl]hydroxylamine
CID 89160024

Frequently Asked Questions

What is the IUPAC name of (3,4-diaminophenyl)-[3-(2-morpholin-2-ylpropoxy)phenyl]methanone?
The IUPAC name of (3,4-diaminophenyl)-[3-(2-morpholin-2-ylpropoxy)phenyl]methanone (CID 21451424) is (3,4-diaminophenyl)-[3-(2-morpholin-2-ylpropoxy)phenyl]methanone.
What is the SMILES notation for (3,4-diaminophenyl)-[3-(2-morpholin-2-ylpropoxy)phenyl]methanone?
The canonical SMILES for (3,4-diaminophenyl)-[3-(2-morpholin-2-ylpropoxy)phenyl]methanone is CC(COc1cccc(C(=O)c2ccc(N)c(N)c2)c1)C1CNCCO1.
What is the InChIKey of (3,4-diaminophenyl)-[3-(2-morpholin-2-ylpropoxy)phenyl]methanone?
The InChIKey is VTYQGFYUUARMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13(19-11-23-7-8-25-19)12-26-16-4-2-3-14(9-16)20(24)15-5-6-17(21)18(22)10-15/h2-6,9-10,13,19,23H,7-8,11-12,21-22H2,1H3.
What are the key properties of (3,4-diaminophenyl)-[3-(2-morpholin-2-ylpropoxy)phenyl]methanone?
(3,4-diaminophenyl)-[3-(2-morpholin-2-ylpropoxy)phenyl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diaminophenyl)-[3-(2-morpholin-2-ylpropoxy)phenyl]methanone is sourced from PubChem (CID 21451424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).