2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol

C16H28N2O — CID 115120934

IUPAC2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol
SMILESCCC(C)c1ccc(CCN(C)CC(N)CO)cc1
InChIInChI=1S/C16H28N2O/c1-4-13(2)15-7-5-14(6-8-15)9-10-18(3)11-16(17)12-19/h5-8,13,16,19H,4,9-12,17H2,1-3H3
InChIKeyUGRKLIYWKFFRGM-UHFFFAOYSA-N
MW264.41 g/mol
LogP1.99
Rot. Bonds8

About 2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol

2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol (PubChem CID 115120934) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol
PubChem CID115120934
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol
SMILESCCC(C)c1ccc(CCN(C)CC(N)CO)cc1
InChIInChI=1S/C16H28N2O/c1-4-13(2)15-7-5-14(6-8-15)9-10-18(3)11-16(17)12-19/h5-8,13,16,19H,4,9-12,17H2,1-3H3
InChIKeyUGRKLIYWKFFRGM-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 115196909
2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 115120911
[2-(4-butan-2-ylphenyl)ethyl-methylamino]methanethiol
CID 115228380
2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258991
1-(4-butan-2-ylphenyl)pentan-3-amine
CID 112513140
3-N-[2-(4-butan-2-ylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
CID 117040444
N-[2-(4-butan-2-ylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194057
2-(4-butan-2-ylphenyl)ethyl-methylcarbamothioic S-acid
CID 115170394
[(4-butan-2-ylphenyl)methyl-methylamino]methanol
CID 115229112
(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 7138367
2-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propanoic acid
CID 117042008
(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
CID 94174191

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol?
The IUPAC name of 2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol (CID 115120934) is 2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol?
The canonical SMILES for 2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol is CCC(C)c1ccc(CCN(C)CC(N)CO)cc1.
What is the InChIKey of 2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol?
The InChIKey is UGRKLIYWKFFRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-13(2)15-7-5-14(6-8-15)9-10-18(3)11-16(17)12-19/h5-8,13,16,19H,4,9-12,17H2,1-3H3.
What are the key properties of 2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol?
2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol is sourced from PubChem (CID 115120934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).