2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine

C14H24N2O — CID 131068415

IUPAC2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine
SMILESCCCN(Cc1ccccc1)C(CN)COC
InChIInChI=1S/C14H24N2O/c1-3-9-16(14(10-15)12-17-2)11-13-7-5-4-6-8-13/h4-8,14H,3,9-12,15H2,1-2H3
InChIKeyOHLRNCDKUXXLGZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.87
Rot. Bonds8

About 2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine

2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine (PubChem CID 131068415) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine
PubChem CID131068415
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine
SMILESCCCN(Cc1ccccc1)C(CN)COC
InChIInChI=1S/C14H24N2O/c1-3-9-16(14(10-15)12-17-2)11-13-7-5-4-6-8-13/h4-8,14H,3,9-12,15H2,1-2H3
InChIKeyOHLRNCDKUXXLGZ-UHFFFAOYSA-N
XLogP1.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine
CID 103391726
2-N-benzyl-2-N-ethylpentane-1,2-diamine
CID 43126066
2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 62880739
2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 55129264
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine
CID 62881786
ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate
CID 79006267
3-[benzyl(propyl)amino]butan-2-ol
CID 131042967
N-benzyl-N-(methoxymethyl)propan-1-amine
CID 90983787
2-[1-aminopropan-2-yl(benzyl)amino]ethanol
CID 62116860
1-O-ethyl 4-O-methyl (2S)-2-(dibenzylamino)butanedioate
CID 102477689
ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate
CID 106511569
N-benzyl-N-(2-bromoethyl)pentan-3-amine
CID 80680386

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine (CID 131068415) is 2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine is CCCN(Cc1ccccc1)C(CN)COC.
What is the InChIKey of 2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine?
The InChIKey is OHLRNCDKUXXLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-9-16(14(10-15)12-17-2)11-13-7-5-4-6-8-13/h4-8,14H,3,9-12,15H2,1-2H3.
What are the key properties of 2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine?
2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 131068415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).