2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol

C17H27NO — CID 63294725

IUPAC2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol
SMILESCCCCc1ccc(C(C)NCC(O)C2CC2)cc1
InChIInChI=1S/C17H27NO/c1-3-4-5-14-6-8-15(9-7-14)13(2)18-12-17(19)16-10-11-16/h6-9,13,16-19H,3-5,10-12H2,1-2H3
InChIKeyNJFNXQBCDQPYOV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.45
Rot. Bonds8

About 2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol

2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol (PubChem CID 63294725) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol
PubChem CID63294725
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol
SMILESCCCCc1ccc(C(C)NCC(O)C2CC2)cc1
InChIInChI=1S/C17H27NO/c1-3-4-5-14-6-8-15(9-7-14)13(2)18-12-17(19)16-10-11-16/h6-9,13,16-19H,3-5,10-12H2,1-2H3
InChIKeyNJFNXQBCDQPYOV-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-butylphenyl)ethylamino]propan-2-ol
CID 43499262
1-cyclopropyl-2-[1-(4-methylphenyl)ethylamino]ethanol
CID 63294182
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 54922154
(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705
1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine
CID 63450221
1-[1-(4-butylphenyl)ethylamino]pentan-3-ol
CID 115729098
2-(4-butylphenyl)-2-cyclopropylacetic acid
CID 112508140
1-cyclopropyl-2-(1-thiophen-3-ylethylamino)ethanol
CID 63295027
4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 63298736
1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43111276
N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine
CID 113464545

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol?
The IUPAC name of 2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol (CID 63294725) is 2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol?
The canonical SMILES for 2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol is CCCCc1ccc(C(C)NCC(O)C2CC2)cc1.
What is the InChIKey of 2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol?
The InChIKey is NJFNXQBCDQPYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-4-5-14-6-8-15(9-7-14)13(2)18-12-17(19)16-10-11-16/h6-9,13,16-19H,3-5,10-12H2,1-2H3.
What are the key properties of 2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol?
2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol has a molecular weight of 261.41 g/mol, XLogP of 3.45, 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]-1-cyclopropylethanol is sourced from PubChem (CID 63294725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).