1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine

C14H24N2O — CID 113407229

IUPAC1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine
SMILESCCCOc1cccc(CNC(C)CNC)c1
InChIInChI=1S/C14H24N2O/c1-4-8-17-14-7-5-6-13(9-14)11-16-12(2)10-15-3/h5-7,9,12,15-16H,4,8,10-11H2,1-3H3
InChIKeyAKUHCPXYLUWOIS-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.17
Rot. Bonds8

About 1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine

1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine (PubChem CID 113407229) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine
PubChem CID113407229
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine
SMILESCCCOc1cccc(CNC(C)CNC)c1
InChIInChI=1S/C14H24N2O/c1-4-8-17-14-7-5-6-13(9-14)11-16-12(2)10-15-3/h5-7,9,12,15-16H,4,8,10-11H2,1-3H3
InChIKeyAKUHCPXYLUWOIS-UHFFFAOYSA-N
XLogP2.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60958113
(1R)-1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81347368
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
(1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81363781
4-methyl-2-[(3-propoxyphenyl)methylamino]pentan-1-ol
CID 61247010
(1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81403687
(1S)-1-cyclopentyl-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81386219
1-(4-bromophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955137
1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine
CID 54848596
1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955260
1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60956086
3-[(3-propoxyphenyl)methylamino]pentan-1-ol
CID 115644712

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine (CID 113407229) is 1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine is CCCOc1cccc(CNC(C)CNC)c1.
What is the InChIKey of 1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine?
The InChIKey is AKUHCPXYLUWOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-8-17-14-7-5-6-13(9-14)11-16-12(2)10-15-3/h5-7,9,12,15-16H,4,8,10-11H2,1-3H3.
What are the key properties of 1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine?
1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 113407229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).