3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol

C13H21NO — CID 43206550

IUPAC3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
SMILESCc1ccc(C(C)NCCCO)c(C)c1
InChIInChI=1S/C13H21NO/c1-10-5-6-13(11(2)9-10)12(3)14-7-4-8-15/h5-6,9,12,14-15H,4,7-8H2,1-3H3
InChIKeyVPSUADMVEWKYEA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.34
Rot. Bonds5

About 3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol

3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol (PubChem CID 43206550) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
PubChem CID43206550
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
SMILESCc1ccc(C(C)NCCCO)c(C)c1
InChIInChI=1S/C13H21NO/c1-10-5-6-13(11(2)9-10)12(3)14-7-4-8-15/h5-6,9,12,14-15H,4,7-8H2,1-3H3
InChIKeyVPSUADMVEWKYEA-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82313434
2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol
CID 107303108
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776740
4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol
CID 106840594
methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate
CID 43139725
N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634705
1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720774
1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780969
6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
CID 107703523
3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol
CID 81339355
3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol
CID 115888360

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol?
The IUPAC name of 3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol (CID 43206550) is 3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol.
What is the SMILES notation for 3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol?
The canonical SMILES for 3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol is Cc1ccc(C(C)NCCCO)c(C)c1.
What is the InChIKey of 3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol?
The InChIKey is VPSUADMVEWKYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-5-6-13(11(2)9-10)12(3)14-7-4-8-15/h5-6,9,12,14-15H,4,7-8H2,1-3H3.
What are the key properties of 3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol?
3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol is sourced from PubChem (CID 43206550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).