4-[(2-ethylphenyl)methylamino]butan-1-ol

C13H21NO — CID 64680949

IUPAC4-[(2-ethylphenyl)methylamino]butan-1-ol
SMILESCCc1ccccc1CNCCCCO
InChIInChI=1S/C13H21NO/c1-2-12-7-3-4-8-13(12)11-14-9-5-6-10-15/h3-4,7-8,14-15H,2,5-6,9-11H2,1H3
InChIKeyCUALYALQBVAFGW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.11
Rot. Bonds7

About 4-[(2-ethylphenyl)methylamino]butan-1-ol

4-[(2-ethylphenyl)methylamino]butan-1-ol (PubChem CID 64680949) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[(2-ethylphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(2-ethylphenyl)methylamino]butan-1-ol
PubChem CID64680949
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[(2-ethylphenyl)methylamino]butan-1-ol
SMILESCCc1ccccc1CNCCCCO
InChIInChI=1S/C13H21NO/c1-2-12-7-3-4-8-13(12)11-14-9-5-6-10-15/h3-4,7-8,14-15H,2,5-6,9-11H2,1H3
InChIKeyCUALYALQBVAFGW-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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

2-[(6-hydroxyhexylamino)methyl]phenol
CID 82678109
N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
CID 113287301
N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine
CID 63421085
5-[(2-ethylphenyl)methylamino]pentan-2-ol
CID 106122637
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
N-[(2-ethylphenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326356
2-[(6-hydroxyhexylamino)methyl]benzamide
CID 114009117
N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040849
N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 62392429
6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol
CID 22006356
4-(2,6-diethylanilino)butan-1-ol
CID 62327687
3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine
CID 114136754

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylphenyl)methylamino]butan-1-ol?
The IUPAC name of 4-[(2-ethylphenyl)methylamino]butan-1-ol (CID 64680949) is 4-[(2-ethylphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 4-[(2-ethylphenyl)methylamino]butan-1-ol?
The canonical SMILES for 4-[(2-ethylphenyl)methylamino]butan-1-ol is CCc1ccccc1CNCCCCO.
What is the InChIKey of 4-[(2-ethylphenyl)methylamino]butan-1-ol?
The InChIKey is CUALYALQBVAFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-12-7-3-4-8-13(12)11-14-9-5-6-10-15/h3-4,7-8,14-15H,2,5-6,9-11H2,1H3.
What are the key properties of 4-[(2-ethylphenyl)methylamino]butan-1-ol?
4-[(2-ethylphenyl)methylamino]butan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 64680949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).