4-[2-(4-methylphenyl)ethylamino]butan-1-ol

C13H21NO — CID 115217735

IUPAC4-[2-(4-methylphenyl)ethylamino]butan-1-ol
SMILESCc1ccc(CCNCCCCO)cc1
InChIInChI=1S/C13H21NO/c1-12-4-6-13(7-5-12)8-10-14-9-2-3-11-15/h4-7,14-15H,2-3,8-11H2,1H3
InChIKeyNXVCEAPILYPEQE-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.90
Rot. Bonds7

About 4-[2-(4-methylphenyl)ethylamino]butan-1-ol

4-[2-(4-methylphenyl)ethylamino]butan-1-ol (PubChem CID 115217735) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)ethylamino]butan-1-ol
PubChem CID115217735
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[2-(4-methylphenyl)ethylamino]butan-1-ol
SMILESCc1ccc(CCNCCCCO)cc1
InChIInChI=1S/C13H21NO/c1-12-4-6-13(7-5-12)8-10-14-9-2-3-11-15/h4-7,14-15H,2-3,8-11H2,1H3
InChIKeyNXVCEAPILYPEQE-UHFFFAOYSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.90
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-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol
CID 115217835
3-chloro-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 115215788
N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790228
5-[2-(3-methylphenyl)ethylamino]pentan-1-ol
CID 62315190
4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217740
3-[2-(4-phenylphenyl)ethylamino]propan-1-ol
CID 115217026
5-(2-pyridin-4-ylethylamino)pentan-1-ol
CID 62228451
5-[2-(4-nitrophenyl)ethylamino]pentan-1-ol
CID 62229014
4-(4-methylphenyl)butan-1-ol;toluene
CID 70134596
2-[2-(4-ethylphenyl)ethylamino]ethanol
CID 94679941
N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine
CID 113410199
2-[6-(2-phenylethylamino)hexylamino]ethanol
CID 22104030

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)ethylamino]butan-1-ol?
The IUPAC name of 4-[2-(4-methylphenyl)ethylamino]butan-1-ol (CID 115217735) is 4-[2-(4-methylphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-[2-(4-methylphenyl)ethylamino]butan-1-ol?
The canonical SMILES for 4-[2-(4-methylphenyl)ethylamino]butan-1-ol is Cc1ccc(CCNCCCCO)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)ethylamino]butan-1-ol?
The InChIKey is NXVCEAPILYPEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-12-4-6-13(7-5-12)8-10-14-9-2-3-11-15/h4-7,14-15H,2-3,8-11H2,1H3.
What are the key properties of 4-[2-(4-methylphenyl)ethylamino]butan-1-ol?
4-[2-(4-methylphenyl)ethylamino]butan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 115217735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).