3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine

C12H19N3O — CID 23441207

IUPAC3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine
SMILESCc1c(CN2CCOCC2)ccc(N)c1N
InChIInChI=1S/C12H19N3O/c1-9-10(2-3-11(13)12(9)14)8-15-4-6-16-7-5-15/h2-3H,4-8,13-14H2,1H3
InChIKeySPLCXPXBTZHWTE-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.99
Rot. Bonds2

About 3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine

3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine (PubChem CID 23441207) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine
PubChem CID23441207
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine
SMILESCc1c(CN2CCOCC2)ccc(N)c1N
InChIInChI=1S/C12H19N3O/c1-9-10(2-3-11(13)12(9)14)8-15-4-6-16-7-5-15/h2-3H,4-8,13-14H2,1H3
InChIKeySPLCXPXBTZHWTE-UHFFFAOYSA-N
XLogP0.99
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.99
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-[[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
CID 59392786
2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline
CID 91873507
4-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]morpholine
CID 155546801
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline
CID 177223296
2-amino-6-[[16-[(3-amino-2-hydroxy-5-methylphenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-4-methylphenol
CID 10578190
5-amino-2-(morpholin-4-ylmethyl)phenol
CID 19799808
3-(morpholin-4-ylmethyl)naphthalen-2-amine
CID 61214111
5-chloro-2-(1,4-oxazepan-4-ylmethyl)aniline
CID 62986873
5-bromo-2-(1,4-oxazepan-4-ylmethyl)aniline
CID 79712420
methyl 4-amino-3-(morpholin-4-ylmethyl)benzoate
CID 142435878
1-methyl-4-(morpholin-4-ylmethyl)pyrazol-5-amine
CID 79678428

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine (CID 23441207) is 3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine is Cc1c(CN2CCOCC2)ccc(N)c1N.
What is the InChIKey of 3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine?
The InChIKey is SPLCXPXBTZHWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-10(2-3-11(13)12(9)14)8-15-4-6-16-7-5-15/h2-3H,4-8,13-14H2,1H3.
What are the key properties of 3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine?
3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine has a molecular weight of 221.30 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 23441207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).