1-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]propan-2-ol

C15H26N2O — CID 62333821

IUPAC1-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]propan-2-ol
SMILESCCC(N)C(c1ccc(C)cc1)N(C)CC(C)O
InChIInChI=1S/C15H26N2O/c1-5-14(16)15(17(4)10-12(3)18)13-8-6-11(2)7-9-13/h6-9,12,14-15,18H,5,10,16H2,1-4H3
InChIKeyDDBNPJVUPNKBIZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.09
Rot. Bonds6

About 1-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]propan-2-ol

1-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]propan-2-ol (PubChem CID 62333821) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]propan-2-ol
PubChem CID62333821
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]propan-2-ol
SMILESCCC(N)C(c1ccc(C)cc1)N(C)CC(C)O
InChIInChI=1S/C15H26N2O/c1-5-14(16)15(17(4)10-12(3)18)13-8-6-11(2)7-9-13/h6-9,12,14-15,18H,5,10,16H2,1-4H3
InChIKeyDDBNPJVUPNKBIZ-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol
CID 55061112
1-N-methyl-1-(4-methylphenyl)-1-N-(1-methylsulfanylpropan-2-yl)butane-1,2-diamine
CID 112657726
1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol
CID 62333824
2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol
CID 102631590
1-N-methyl-1-(4-methylphenyl)-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63727618
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
(1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 118026515
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide
CID 55016146
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 119334130
2-amino-N-methyl-N-(2-methylbutyl)-2-(4-methylphenyl)acetamide
CID 106151480
2-amino-N-butan-2-yl-N-ethyl-2-(4-methylphenyl)acetamide
CID 106312072

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]propan-2-ol (CID 62333821) is 1-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]propan-2-ol is CCC(N)C(c1ccc(C)cc1)N(C)CC(C)O.
What is the InChIKey of 1-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]propan-2-ol?
The InChIKey is DDBNPJVUPNKBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-14(16)15(17(4)10-12(3)18)13-8-6-11(2)7-9-13/h6-9,12,14-15,18H,5,10,16H2,1-4H3.
What are the key properties of 1-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]propan-2-ol?
1-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]propan-2-ol has a molecular weight of 250.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]propan-2-ol is sourced from PubChem (CID 62333821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).