1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine

C17H27NO — CID 43111276

IUPAC1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCCCc1ccc(C(C)NCC2CCCO2)cc1
InChIInChI=1S/C17H27NO/c1-3-4-6-15-8-10-16(11-9-15)14(2)18-13-17-7-5-12-19-17/h8-11,14,17-18H,3-7,12-13H2,1-2H3
InChIKeyAVQJWKCSJPBCFB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.86
Rot. Bonds7

About 1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine

1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 43111276) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID43111276
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCCCc1ccc(C(C)NCC2CCCO2)cc1
InChIInChI=1S/C17H27NO/c1-3-4-6-15-8-10-16(11-9-15)14(2)18-13-17-7-5-12-19-17/h8-11,14,17-18H,3-7,12-13H2,1-2H3
InChIKeyAVQJWKCSJPBCFB-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-butylphenyl)-2-chloroethyl]oxolane
CID 65157757
4-butyl-N-(oxan-2-ylmethyl)aniline
CID 43403485
1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160664
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 100558519
1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014093
4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682480
1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine
CID 63450221
1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43309993
1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63952731
(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404067
2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol
CID 63294725
N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 54931937

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine (CID 43111276) is 1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine is CCCCc1ccc(C(C)NCC2CCCO2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is AVQJWKCSJPBCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-4-6-15-8-10-16(11-9-15)14(2)18-13-17-7-5-12-19-17/h8-11,14,17-18H,3-7,12-13H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine?
1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 43111276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).