4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine

C14H23N3O — CID 54965108

IUPAC4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
SMILESCc1ccc(NC(C)CN2CCOCC2)c(N)c1
InChIInChI=1S/C14H23N3O/c1-11-3-4-14(13(15)9-11)16-12(2)10-17-5-7-18-8-6-17/h3-4,9,12,16H,5-8,10,15H2,1-2H3
InChIKeyZRMZTVFTRYIKTA-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.71
Rot. Bonds4

About 4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine

4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine (PubChem CID 54965108) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
PubChem CID54965108
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
SMILESCc1ccc(NC(C)CN2CCOCC2)c(N)c1
InChIInChI=1S/C14H23N3O/c1-11-3-4-14(13(15)9-11)16-12(2)10-17-5-7-18-8-6-17/h3-4,9,12,16H,5-8,10,15H2,1-2H3
InChIKeyZRMZTVFTRYIKTA-UHFFFAOYSA-N
XLogP1.71
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.71
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

4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide
CID 82900216
4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
CID 63593047
6,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)quinolin-4-amine
CID 122570270
1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61475029
6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine
CID 106947816
4-bromo-N-(1-morpholin-4-ylpropan-2-yl)-2-nitroaniline
CID 60964780
4-bromo-2-(1-morpholin-4-ylpropan-2-ylamino)benzenecarbothioamide
CID 114902945
1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43675888
2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile
CID 60965677
3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine
CID 104506572
2-bromo-3-fluoro-4-(1-morpholin-4-ylpropan-2-ylamino)benzenecarbothioamide
CID 107534845
6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine
CID 104918892

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine (CID 54965108) is 4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine is Cc1ccc(NC(C)CN2CCOCC2)c(N)c1.
What is the InChIKey of 4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine?
The InChIKey is ZRMZTVFTRYIKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-3-4-14(13(15)9-11)16-12(2)10-17-5-7-18-8-6-17/h3-4,9,12,16H,5-8,10,15H2,1-2H3.
What are the key properties of 4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine?
4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 54965108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).