3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine

C18H23N3O3 — CID 139342854

IUPAC3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine
SMILESCOc1ccc(COc2cc(N3CCOCC3)cc(N)c2N)cc1
InChIInChI=1S/C18H23N3O3/c1-22-15-4-2-13(3-5-15)12-24-17-11-14(10-16(19)18(17)20)21-6-8-23-9-7-21/h2-5,10-11H,6-9,12,19-20H2,1H3
InChIKeyOBQGSRVCINTGGN-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.28
Rot. Bonds5

About 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine

3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine (PubChem CID 139342854) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine
PubChem CID139342854
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine
SMILESCOc1ccc(COc2cc(N3CCOCC3)cc(N)c2N)cc1
InChIInChI=1S/C18H23N3O3/c1-22-15-4-2-13(3-5-15)12-24-17-11-14(10-16(19)18(17)20)21-6-8-23-9-7-21/h2-5,10-11H,6-9,12,19-20H2,1H3
InChIKeyOBQGSRVCINTGGN-UHFFFAOYSA-N
XLogP2.28
TPSA82.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline
CID 139331354
4-[5-[(4-methoxyphenyl)methoxy]-2-methylquinazolin-7-yl]morpholine
CID 139330647
2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide
CID 139338480
4-[2,4-dimethyl-5-[(4-methylphenyl)methoxy]quinazolin-7-yl]morpholine
CID 158577556
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
methyl (2S)-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]pyrrolidine-2-carboxylate
CID 156749567
7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one
CID 15650857
2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-[(4-methylphenyl)methoxy]pyran-4-one
CID 7178463
3-methoxy-5-(1,4-oxazepan-4-yl)aniline
CID 80735841
4-morpholin-4-yl-2-phenylmethoxybenzoic acid
CID 139820308
2-[(4-methoxyphenyl)methoxy]-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]benzonitrile
CID 157485501
4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200868

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine?
The IUPAC name of 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine (CID 139342854) is 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine.
What is the SMILES notation for 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine?
The canonical SMILES for 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine is COc1ccc(COc2cc(N3CCOCC3)cc(N)c2N)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine?
The InChIKey is OBQGSRVCINTGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-22-15-4-2-13(3-5-15)12-24-17-11-14(10-16(19)18(17)20)21-6-8-23-9-7-21/h2-5,10-11H,6-9,12,19-20H2,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine?
3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine has a molecular weight of 329.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine is sourced from PubChem (CID 139342854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).