4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine

C14H23N3O — CID 55091459

IUPAC4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine
SMILESCc1ccc(N)cc1NCCCN1CCOCC1
InChIInChI=1S/C14H23N3O/c1-12-3-4-13(15)11-14(12)16-5-2-6-17-7-9-18-10-8-17/h3-4,11,16H,2,5-10,15H2,1H3
InChIKeyAGPNSIFORDYINK-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.71
Rot. Bonds5

About 4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine

4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine (PubChem CID 55091459) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine
PubChem CID55091459
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine
SMILESCc1ccc(N)cc1NCCCN1CCOCC1
InChIInChI=1S/C14H23N3O/c1-12-3-4-13(15)11-14(12)16-5-2-6-17-7-9-18-10-8-17/h3-4,11,16H,2,5-10,15H2,1H3
InChIKeyAGPNSIFORDYINK-UHFFFAOYSA-N
XLogP1.71
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine
CID 90022894
2-chloro-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine
CID 28904413
4-bromo-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 43348214
3-methyl-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 62710111
2,4,5-trimethyl-N-(2-morpholin-4-ylethyl)aniline
CID 82498851
4-N-(2,5-dimethylphenyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 22547018
3-methyl-4-(3-morpholin-4-ylpropoxy)aniline
CID 171834800
2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile
CID 104716278
5-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107927013
4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide
CID 63357336
4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43256797
4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 63599229

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine?
The IUPAC name of 4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine (CID 55091459) is 4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine?
The canonical SMILES for 4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine is Cc1ccc(N)cc1NCCCN1CCOCC1.
What is the InChIKey of 4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine?
The InChIKey is AGPNSIFORDYINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12-3-4-13(15)11-14(12)16-5-2-6-17-7-9-18-10-8-17/h3-4,11,16H,2,5-10,15H2,1H3.
What are the key properties of 4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine?
4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine is sourced from PubChem (CID 55091459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).