3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine

C14H25N3O — CID 115119849

IUPAC3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine
SMILESCC(C)Oc1ccc(CN(C)CC(N)CN)cc1
InChIInChI=1S/C14H25N3O/c1-11(2)18-14-6-4-12(5-7-14)9-17(3)10-13(16)8-15/h4-7,11,13H,8-10,15-16H2,1-3H3
InChIKeyUGYRDXTWHNWLIN-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.19
Rot. Bonds7

About 3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine

3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine (PubChem CID 115119849) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine
PubChem CID115119849
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine
SMILESCC(C)Oc1ccc(CN(C)CC(N)CN)cc1
InChIInChI=1S/C14H25N3O/c1-11(2)18-14-6-4-12(5-7-14)9-17(3)10-13(16)8-15/h4-7,11,13H,8-10,15-16H2,1-3H3
InChIKeyUGYRDXTWHNWLIN-UHFFFAOYSA-N
XLogP1.19
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine 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

3-N-[(4-bromophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119805
N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 115263189
N-(bromomethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 115262054
3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine
CID 115134836
4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one
CID 115235805
4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine
CID 62475963
2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol
CID 115133454
1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916427
N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine
CID 115259585
2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 116924949
3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120101
3-N-[(4-ethoxy-3-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119848

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine?
The IUPAC name of 3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine (CID 115119849) is 3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine.
What is the SMILES notation for 3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine?
The canonical SMILES for 3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine is CC(C)Oc1ccc(CN(C)CC(N)CN)cc1.
What is the InChIKey of 3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine?
The InChIKey is UGYRDXTWHNWLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)18-14-6-4-12(5-7-14)9-17(3)10-13(16)8-15/h4-7,11,13H,8-10,15-16H2,1-3H3.
What are the key properties of 3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine?
3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine has a molecular weight of 251.37 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine is sourced from PubChem (CID 115119849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).