4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol

C14H23NO — CID 115217740

IUPAC4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol
SMILESCc1ccc(C)c(CCNCCCCO)c1
InChIInChI=1S/C14H23NO/c1-12-5-6-13(2)14(11-12)7-9-15-8-3-4-10-16/h5-6,11,15-16H,3-4,7-10H2,1-2H3
InChIKeyHUPYNWASKRNFPM-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.21
Rot. Bonds7

About 4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol

4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol (PubChem CID 115217740) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol
PubChem CID115217740
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol
SMILESCc1ccc(C)c(CCNCCCCO)c1
InChIInChI=1S/C14H23NO/c1-12-5-6-13(2)14(11-12)7-9-15-8-3-4-10-16/h5-6,11,15-16H,3-4,7-10H2,1-2H3
InChIKeyHUPYNWASKRNFPM-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.21
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

4-[2-(4-methylphenyl)ethylamino]butan-1-ol
CID 115217735
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525
4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol
CID 115217835
5-[2-(3-methylphenyl)ethylamino]pentan-1-ol
CID 62315190
N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538182
4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol
CID 115217788
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136100
3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol
CID 59549336
5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
CID 106547731
3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol
CID 115632162
N'-[2-(5-bromo-2-methylphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202149

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol?
The IUPAC name of 4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol (CID 115217740) is 4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol?
The canonical SMILES for 4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol is Cc1ccc(C)c(CCNCCCCO)c1.
What is the InChIKey of 4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol?
The InChIKey is HUPYNWASKRNFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-5-6-13(2)14(11-12)7-9-15-8-3-4-10-16/h5-6,11,15-16H,3-4,7-10H2,1-2H3.
What are the key properties of 4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol?
4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 115217740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).