N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine

C16H25NO — CID 54931937

IUPACN-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NCC2CCOC2)cc1
InChIInChI=1S/C16H25NO/c1-3-4-14-5-7-16(8-6-14)13(2)17-11-15-9-10-18-12-15/h5-8,13,15,17H,3-4,9-12H2,1-2H3
InChIKeyDGPKKYMJKWNYFE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.33
Rot. Bonds6

About N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine

N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine (PubChem CID 54931937) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine
PubChem CID54931937
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NCC2CCOC2)cc1
InChIInChI=1S/C16H25NO/c1-3-4-14-5-7-16(8-6-14)13(2)17-11-15-9-10-18-12-15/h5-8,13,15,17H,3-4,9-12H2,1-2H3
InChIKeyDGPKKYMJKWNYFE-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43674130
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
2-(oxolan-3-yl)-1-(4-propylphenyl)ethanamine
CID 103986875
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305
1-(4-methylsulfonylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931797
[2-(oxolan-3-yl)-1-(4-propylphenyl)ethyl]hydrazine
CID 105265959
1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
CID 62385198
N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 60856073
1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 115776721
(1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine
CID 81354216
1-(3-chloro-4-fluorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931991

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine (CID 54931937) is N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(C)NCC2CCOC2)cc1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine?
The InChIKey is DGPKKYMJKWNYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-4-14-5-7-16(8-6-14)13(2)17-11-15-9-10-18-12-15/h5-8,13,15,17H,3-4,9-12H2,1-2H3.
What are the key properties of N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine?
N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 54931937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).