2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine

C13H22N2O — CID 102697099

IUPAC2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine
SMILESCOC(C)CNC(CN)Cc1ccccc1
InChIInChI=1S/C13H22N2O/c1-11(16-2)10-15-13(9-14)8-12-6-4-3-5-7-12/h3-7,11,13,15H,8-10,14H2,1-2H3
InChIKeyNDWWEEGEEGKVFR-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.18
Rot. Bonds7

About 2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine

2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine (PubChem CID 102697099) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine
PubChem CID102697099
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine
SMILESCOC(C)CNC(CN)Cc1ccccc1
InChIInChI=1S/C13H22N2O/c1-11(16-2)10-15-13(9-14)8-12-6-4-3-5-7-12/h3-7,11,13,15H,8-10,14H2,1-2H3
InChIKeyNDWWEEGEEGKVFR-UHFFFAOYSA-N
XLogP1.18
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine
CID 10588599
N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine
CID 79007730
N-benzyl-2-methoxypropan-1-amine
CID 58887986
2-methoxy-N-(1-phenylmethoxypropan-2-yl)propan-1-amine
CID 130921291
N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine
CID 63478564
3-[(1-amino-3-phenylpropan-2-yl)amino]propan-1-ol
CID 65378024
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095
2-N-but-3-ynyl-3-phenylpropane-1,2-diamine
CID 116641200
2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine
CID 65376487
2-methyl-3-phenylpropan-1-amine
CID 12672558
1-(4-methoxyphenyl)-N-(2-methoxypropyl)propan-2-amine
CID 102696593
2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol
CID 106989919

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine (CID 102697099) is 2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine is COC(C)CNC(CN)Cc1ccccc1.
What is the InChIKey of 2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine?
The InChIKey is NDWWEEGEEGKVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(16-2)10-15-13(9-14)8-12-6-4-3-5-7-12/h3-7,11,13,15H,8-10,14H2,1-2H3.
What are the key properties of 2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine?
2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 102697099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).