1-[1-(4-butylphenyl)ethylamino]propan-2-ol

C15H25NO — CID 43499262

IUPAC1-[1-(4-butylphenyl)ethylamino]propan-2-ol
SMILESCCCCc1ccc(C(C)NCC(C)O)cc1
InChIInChI=1S/C15H25NO/c1-4-5-6-14-7-9-15(10-8-14)13(3)16-11-12(2)17/h7-10,12-13,16-17H,4-6,11H2,1-3H3
InChIKeyIMRQTRLPXKFSHX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.06
Rot. Bonds7

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

1-[1-(4-butylphenyl)ethylamino]propan-2-ol (PubChem CID 43499262) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[1-(4-butylphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[1-(4-butylphenyl)ethylamino]propan-2-ol
PubChem CID43499262
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[1-(4-butylphenyl)ethylamino]propan-2-ol
SMILESCCCCc1ccc(C(C)NCC(C)O)cc1
InChIInChI=1S/C15H25NO/c1-4-5-6-14-7-9-15(10-8-14)13(3)16-11-12(2)17/h7-10,12-13,16-17H,4-6,11H2,1-3H3
InChIKeyIMRQTRLPXKFSHX-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol
CID 63294725
N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 54922154
1-[1-(4-butylphenyl)ethylamino]pentan-3-ol
CID 115729098
N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine
CID 113464545
2-bromo-N-[1-(4-butylphenyl)ethyl]prop-2-en-1-amine
CID 113464993
3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359024
1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903436
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609
(2S)-1-[[(1S)-1-(4-bromophenyl)ethyl]amino]propan-2-ol
CID 93082226
1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204866

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-butylphenyl)ethylamino]propan-2-ol?
The IUPAC name of 1-[1-(4-butylphenyl)ethylamino]propan-2-ol (CID 43499262) is 1-[1-(4-butylphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[1-(4-butylphenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-[1-(4-butylphenyl)ethylamino]propan-2-ol is CCCCc1ccc(C(C)NCC(C)O)cc1.
What is the InChIKey of 1-[1-(4-butylphenyl)ethylamino]propan-2-ol?
The InChIKey is IMRQTRLPXKFSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-6-14-7-9-15(10-8-14)13(3)16-11-12(2)17/h7-10,12-13,16-17H,4-6,11H2,1-3H3.
What are the key properties of 1-[1-(4-butylphenyl)ethylamino]propan-2-ol?
1-[1-(4-butylphenyl)ethylamino]propan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 3.06, 7 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]propan-2-ol is sourced from PubChem (CID 43499262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).