1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine

C17H27NO — CID 43310101

IUPAC1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCCc1ccc(C(CC)NC(C)C2CCCO2)cc1
InChIInChI=1S/C17H27NO/c1-4-14-8-10-15(11-9-14)16(5-2)18-13(3)17-7-6-12-19-17/h8-11,13,16-18H,4-7,12H2,1-3H3
InChIKeySNQSAZMUESDALU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.86
Rot. Bonds6

About 1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine

1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine (PubChem CID 43310101) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
PubChem CID43310101
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCCc1ccc(C(CC)NC(C)C2CCCO2)cc1
InChIInChI=1S/C17H27NO/c1-4-14-8-10-15(11-9-14)16(5-2)18-13(3)17-7-6-12-19-17/h8-11,13,16-18H,4-7,12H2,1-3H3
InChIKeySNQSAZMUESDALU-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43309993
3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43108572
1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
CID 112631436
1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine
CID 55013993
2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 6469922
N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866
2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 27233661
N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208422
N-[(4-tert-butylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43111659
(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol
CID 104980386
N-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine
CID 104531303
1-[4-[(2S)-butan-2-yl]phenyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiourea
CID 7450092

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine (CID 43310101) is 1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine is CCc1ccc(C(CC)NC(C)C2CCCO2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine?
The InChIKey is SNQSAZMUESDALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-14-8-10-15(11-9-14)16(5-2)18-13(3)17-7-6-12-19-17/h8-11,13,16-18H,4-7,12H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine?
1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43310101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).