1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol

C15H24N2O2 — CID 61420561

IUPAC1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol
SMILESCOc1ccc(CN(C)CC(O)CNC2CC2)cc1
InChIInChI=1S/C15H24N2O2/c1-17(11-14(18)9-16-13-5-6-13)10-12-3-7-15(19-2)8-4-12/h3-4,7-8,13-14,16,18H,5-6,9-11H2,1-2H3
InChIKeyQZZFCICPYOZXPM-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.24
Rot. Bonds8

About 1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol

1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol (PubChem CID 61420561) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol
PubChem CID61420561
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol
SMILESCOc1ccc(CN(C)CC(O)CNC2CC2)cc1
InChIInChI=1S/C15H24N2O2/c1-17(11-14(18)9-16-13-5-6-13)10-12-3-7-15(19-2)8-4-12/h3-4,7-8,13-14,16,18H,5-6,9-11H2,1-2H3
InChIKeyQZZFCICPYOZXPM-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol
CID 43165876
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55071227
1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83054292
1-(cyclopropylamino)-3-[methyl(2-methylpropyl)amino]propan-2-ol
CID 43272018
1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol
CID 61416955
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435033
N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62575486
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
N-cyclopentyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62563443
1-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol
CID 63695532
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62435384
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 103061404

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol (CID 61420561) is 1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol is COc1ccc(CN(C)CC(O)CNC2CC2)cc1.
What is the InChIKey of 1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol?
The InChIKey is QZZFCICPYOZXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(11-14(18)9-16-13-5-6-13)10-12-3-7-15(19-2)8-4-12/h3-4,7-8,13-14,16,18H,5-6,9-11H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol?
1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 61420561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).