2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol

C17H29NO — CID 79254848

IUPAC2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol
SMILESCCCCc1ccc(C(C)NC(CO)C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-5-6-7-15-8-10-16(11-9-15)14(4)18-17(12-19)13(2)3/h8-11,13-14,17-19H,5-7,12H2,1-4H3
InChIKeyJYCOHTVCMWFZHU-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.70
Rot. Bonds8

About 2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol

2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol (PubChem CID 79254848) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol
PubChem CID79254848
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol
SMILESCCCCc1ccc(C(C)NC(CO)C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-5-6-7-15-8-10-16(11-9-15)14(4)18-17(12-19)13(2)3/h8-11,13-14,17-19H,5-7,12H2,1-4H3
InChIKeyJYCOHTVCMWFZHU-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol
CID 106348700
(2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol
CID 103922455
3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol
CID 79254457
3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 79253731
(2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol
CID 124511733
2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride
CID 122360330
1-[1-(4-butylphenyl)ethylamino]propan-2-ol
CID 43499262
(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 113352326
3-methyl-2-[1-(4-phenylphenyl)ethylamino]butan-1-ol
CID 79236662
3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359024
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43203644

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol (CID 79254848) is 2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol is CCCCc1ccc(C(C)NC(CO)C(C)C)cc1.
What is the InChIKey of 2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is JYCOHTVCMWFZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-6-7-15-8-10-16(11-9-15)14(4)18-17(12-19)13(2)3/h8-11,13-14,17-19H,5-7,12H2,1-4H3.
What are the key properties of 2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol?
2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol has a molecular weight of 263.43 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 79254848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).