2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol

C15H26N2O — CID 104554566

IUPAC2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol
SMILESCc1cc(C)cc(C(N)CCN(C)C(C)CO)c1
InChIInChI=1S/C15H26N2O/c1-11-7-12(2)9-14(8-11)15(16)5-6-17(4)13(3)10-18/h7-9,13,15,18H,5-6,10,16H2,1-4H3
InChIKeyUUDTYNWAJKGSTN-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.01
Rot. Bonds6

About 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol

2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol (PubChem CID 104554566) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol
PubChem CID104554566
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol
SMILESCc1cc(C)cc(C(N)CCN(C)C(C)CO)c1
InChIInChI=1S/C15H26N2O/c1-11-7-12(2)9-14(8-11)15(16)5-6-17(4)13(3)10-18/h7-9,13,15,18H,5-6,10,16H2,1-4H3
InChIKeyUUDTYNWAJKGSTN-UHFFFAOYSA-N
XLogP2.01
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol
CID 113426383
2-amino-2-(3,5-dimethylphenyl)ethanol
CID 60756661
3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 104554768
2-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]propan-1-ol
CID 104554558
1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 115346054
1-(3,5-dimethylphenyl)-5-methylhexan-1-amine
CID 105028512
(1R)-1-(3,5-dimethylphenyl)hexan-1-amine
CID 171202167
2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol
CID 102870932
N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62617690
N'-methyl-1-(3-methylphenyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 62628722
2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol
CID 104554695
3-(1-amino-2-hydroxyethyl)-5-methylphenol
CID 84765201

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol (CID 104554566) is 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol is Cc1cc(C)cc(C(N)CCN(C)C(C)CO)c1.
What is the InChIKey of 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol?
The InChIKey is UUDTYNWAJKGSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-7-12(2)9-14(8-11)15(16)5-6-17(4)13(3)10-18/h7-9,13,15,18H,5-6,10,16H2,1-4H3.
What are the key properties of 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol?
2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol is sourced from PubChem (CID 104554566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).