1-[1-(4-butylphenyl)ethylamino]pentan-3-ol

C17H29NO — CID 115729098

IUPAC1-[1-(4-butylphenyl)ethylamino]pentan-3-ol
SMILESCCCCc1ccc(C(C)NCCC(O)CC)cc1
InChIInChI=1S/C17H29NO/c1-4-6-7-15-8-10-16(11-9-15)14(3)18-13-12-17(19)5-2/h8-11,14,17-19H,4-7,12-13H2,1-3H3
InChIKeyUJBGAZCNZSRMGY-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.84
Rot. Bonds9

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

1-[1-(4-butylphenyl)ethylamino]pentan-3-ol (PubChem CID 115729098) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-[1-(4-butylphenyl)ethylamino]pentan-3-ol.

Molecular Properties

Compound Name1-[1-(4-butylphenyl)ethylamino]pentan-3-ol
PubChem CID115729098
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-[1-(4-butylphenyl)ethylamino]pentan-3-ol
SMILESCCCCc1ccc(C(C)NCCC(O)CC)cc1
InChIInChI=1S/C17H29NO/c1-4-6-7-15-8-10-16(11-9-15)14(3)18-13-12-17(19)5-2/h8-11,14,17-19H,4-7,12-13H2,1-3H3
InChIKeyUJBGAZCNZSRMGY-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-butylphenyl)ethylamino]propan-2-ol
CID 43499262
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903436
N-[1-(4-butylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63478035
N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208219
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
2-bromo-N-[1-(4-butylphenyl)ethyl]prop-2-en-1-amine
CID 113464993
1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204866
N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine
CID 113464545
N-[3-[1-(4-butylphenyl)ethylamino]propyl]methanesulfonamide
CID 103776555
1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine
CID 63450221
2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol
CID 63294725

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-butylphenyl)ethylamino]pentan-3-ol?
The IUPAC name of 1-[1-(4-butylphenyl)ethylamino]pentan-3-ol (CID 115729098) is 1-[1-(4-butylphenyl)ethylamino]pentan-3-ol.
What is the SMILES notation for 1-[1-(4-butylphenyl)ethylamino]pentan-3-ol?
The canonical SMILES for 1-[1-(4-butylphenyl)ethylamino]pentan-3-ol is CCCCc1ccc(C(C)NCCC(O)CC)cc1.
What is the InChIKey of 1-[1-(4-butylphenyl)ethylamino]pentan-3-ol?
The InChIKey is UJBGAZCNZSRMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-6-7-15-8-10-16(11-9-15)14(3)18-13-12-17(19)5-2/h8-11,14,17-19H,4-7,12-13H2,1-3H3.
What are the key properties of 1-[1-(4-butylphenyl)ethylamino]pentan-3-ol?
1-[1-(4-butylphenyl)ethylamino]pentan-3-ol has a molecular weight of 263.43 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-butylphenyl)ethylamino]pentan-3-ol is sourced from PubChem (CID 115729098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).