N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine

C17H27NO — CID 103987410

IUPACN-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOC1)c1ccc(CC)cc1
InChIInChI=1S/C17H27NO/c1-3-10-18-17(12-15-9-11-19-13-15)16-7-5-14(4-2)6-8-16/h5-8,15,17-18H,3-4,9-13H2,1-2H3
InChIKeyCXGDXKWHQRMQGK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.72
Rot. Bonds7

About N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine

N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 103987410) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID103987410
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOC1)c1ccc(CC)cc1
InChIInChI=1S/C17H27NO/c1-3-10-18-17(12-15-9-11-19-13-15)16-7-5-14(4-2)6-8-16/h5-8,15,17-18H,3-4,9-13H2,1-2H3
InChIKeyCXGDXKWHQRMQGK-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(oxolan-3-yl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 103987493
N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116545062
N-[1-(furan-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987494
N-[1-(2,3-dihydrofuran-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 102652133
[2-(oxolan-3-yl)-1-(4-propylphenyl)ethyl]hydrazine
CID 105265959
1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987271
N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 103987462
N-[1-(3,4-dimethylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 115846940
N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987411
N-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 106654323
N-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine
CID 103987406
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43496619

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine (CID 103987410) is N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(CC1CCOC1)c1ccc(CC)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is CXGDXKWHQRMQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-10-18-17(12-15-9-11-19-13-15)16-7-5-14(4-2)6-8-16/h5-8,15,17-18H,3-4,9-13H2,1-2H3.
What are the key properties of N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103987410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).