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

C18H29NO — CID 116545062

IUPACN-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOC1)c1cccc(CCC)c1
InChIInChI=1S/C18H29NO/c1-3-6-15-7-5-8-17(12-15)18(19-10-4-2)13-16-9-11-20-14-16/h5,7-8,12,16,18-19H,3-4,6,9-11,13-14H2,1-2H3
InChIKeyMLYHZCVCIZIUMN-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.11
Rot. Bonds8

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

N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine (PubChem CID 116545062) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine
PubChem CID116545062
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOC1)c1cccc(CCC)c1
InChIInChI=1S/C18H29NO/c1-3-6-15-7-5-8-17(12-15)18(19-10-4-2)13-16-9-11-20-14-16/h5,7-8,12,16,18-19H,3-4,6,9-11,13-14H2,1-2H3
InChIKeyMLYHZCVCIZIUMN-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 103987462
N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987410
N-[2-(oxolan-3-yl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 103987493
N-[1-(furan-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987494
N-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine
CID 105188025
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-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103987178
N-ethyl-1-naphthalen-2-yl-2-(oxolan-3-yl)ethanamine
CID 103987345
[2-(oxolan-3-yl)-1-(4-propylphenyl)ethyl]hydrazine
CID 105265959
N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine
CID 116545086
N-[1-(4-bromo-3-chlorophenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 115847097

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine (CID 116545062) is N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine is CCCNC(CC1CCOC1)c1cccc(CCC)c1.
What is the InChIKey of N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine?
The InChIKey is MLYHZCVCIZIUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-6-15-7-5-8-17(12-15)18(19-10-4-2)13-16-9-11-20-14-16/h5,7-8,12,16,18-19H,3-4,6,9-11,13-14H2,1-2H3.
What are the key properties of N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine?
N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 116545062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).