1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol

C13H22N2O — CID 62779714

IUPAC1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)C(CCN)c1ccccc1
InChIInChI=1S/C13H22N2O/c1-11(16)10-15(2)13(8-9-14)12-6-4-3-5-7-12/h3-7,11,13,16H,8-10,14H2,1-2H3
InChIKeyUBFWIEPBRPTQCL-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.39
Rot. Bonds6

About 1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol

1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol (PubChem CID 62779714) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol
PubChem CID62779714
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)C(CCN)c1ccccc1
InChIInChI=1S/C13H22N2O/c1-11(16)10-15(2)13(8-9-14)12-6-4-3-5-7-12/h3-7,11,13,16H,8-10,14H2,1-2H3
InChIKeyUBFWIEPBRPTQCL-UHFFFAOYSA-N
XLogP1.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-1-phenylpropyl)-methylamino]acetamide
CID 62780025
N-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine
CID 62779701
1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol
CID 114948545
N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
CID 63726962
1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol
CID 62333644
N-ethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62778521
1-[(3-amino-3-phenylpropyl)-methylamino]propan-2-ol
CID 62613948
3-amino-1-phenylpropan-1-ol;hydrochloride
CID 13013905
(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride
CID 71743708
N-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine
CID 62778531
3-[3-hydroxybutyl(methyl)amino]-3-phenylpropanenitrile
CID 113499592
(2R)-2-[methyl-[(1R)-1-phenylethyl]amino]-2-phenylethanol
CID 14738807

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol (CID 62779714) is 1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol is CC(O)CN(C)C(CCN)c1ccccc1.
What is the InChIKey of 1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol?
The InChIKey is UBFWIEPBRPTQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(16)10-15(2)13(8-9-14)12-6-4-3-5-7-12/h3-7,11,13,16H,8-10,14H2,1-2H3.
What are the key properties of 1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol?
1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol is sourced from PubChem (CID 62779714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).