3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline

C18H22N2O2 — CID 39233712

IUPAC3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline
SMILESCOc1cc(N)ccc1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C18H22N2O2/c1-21-18-12-16(19)6-7-17(18)15-4-2-14(3-5-15)13-20-8-10-22-11-9-20/h2-7,12H,8-11,13,19H2,1H3
InChIKeyXFLMAFFRSNIHFN-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.78
Rot. Bonds4

About 3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline

3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline (PubChem CID 39233712) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline
PubChem CID39233712
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline
SMILESCOc1cc(N)ccc1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C18H22N2O2/c1-21-18-12-16(19)6-7-17(18)15-4-2-14(3-5-15)13-20-8-10-22-11-9-20/h2-7,12H,8-11,13,19H2,1H3
InChIKeyXFLMAFFRSNIHFN-UHFFFAOYSA-N
XLogP2.78
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde
CID 39234415
4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630
4-(1,4-oxazepan-4-ylmethyl)aniline
CID 62988786
4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline
CID 159454325
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
4-methyl-3-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]aniline;hydrochloride
CID 120840629
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
[2-methoxy-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]methanol
CID 90399338
2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol
CID 82979671
O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117384193
4-(4-benzylpiperazin-1-yl)-3-methoxyaniline
CID 129452213

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline?
The IUPAC name of 3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline (CID 39233712) is 3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline.
What is the SMILES notation for 3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline?
The canonical SMILES for 3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline is COc1cc(N)ccc1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline?
The InChIKey is XFLMAFFRSNIHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-21-18-12-16(19)6-7-17(18)15-4-2-14(3-5-15)13-20-8-10-22-11-9-20/h2-7,12H,8-11,13,19H2,1H3.
What are the key properties of 3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline?
3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline has a molecular weight of 298.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline is sourced from PubChem (CID 39233712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).