[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone

C19H22N2O3 — CID 110006533

IUPAC[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(NCc2ccc(CO)cc2)cc1)N1CCOCC1
InChIInChI=1S/C19H22N2O3/c22-14-16-3-1-15(2-4-16)13-20-18-7-5-17(6-8-18)19(23)21-9-11-24-12-10-21/h1-8,20,22H,9-14H2
InChIKeyMODBRVMCOMCCAG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.26
Rot. Bonds5

About [4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone

[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone (PubChem CID 110006533) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone
PubChem CID110006533
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(NCc2ccc(CO)cc2)cc1)N1CCOCC1
InChIInChI=1S/C19H22N2O3/c22-14-16-3-1-15(2-4-16)13-20-18-7-5-17(6-8-18)19(23)21-9-11-24-12-10-21/h1-8,20,22H,9-14H2
InChIKeyMODBRVMCOMCCAG-UHFFFAOYSA-N
XLogP2.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
N-tert-butyl-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832569
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
morpholin-4-yl-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methanone
CID 33383192
morpholin-4-yl-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone
CID 71997998
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122033835
[5-(benzylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184568
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid
CID 28760123
4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide
CID 30380859

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone (CID 110006533) is [4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(NCc2ccc(CO)cc2)cc1)N1CCOCC1.
What is the InChIKey of [4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is MODBRVMCOMCCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-14-16-3-1-15(2-4-16)13-20-18-7-5-17(6-8-18)19(23)21-9-11-24-12-10-21/h1-8,20,22H,9-14H2.
What are the key properties of [4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone?
[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110006533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).