1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine

C16H25NO — CID 43309993

IUPAC1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCCc1ccc(C(CC)NCC2CCCO2)cc1
InChIInChI=1S/C16H25NO/c1-3-13-7-9-14(10-8-13)16(4-2)17-12-15-6-5-11-18-15/h7-10,15-17H,3-6,11-12H2,1-2H3
InChIKeyDCMQLWMUCKDCAQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.47
Rot. Bonds6

About 1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine

1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 43309993) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID43309993
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCCc1ccc(C(CC)NCC2CCCO2)cc1
InChIInChI=1S/C16H25NO/c1-3-13-7-9-14(10-8-13)16(4-2)17-12-15-6-5-11-18-15/h7-10,15-17H,3-6,11-12H2,1-2H3
InChIKeyDCMQLWMUCKDCAQ-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine
CID 55013993
1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
CID 43310101
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 61050569
1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one
CID 82100237
1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43111276
1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 115524394
3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol
CID 103271372
2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61050567
1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine
CID 55014326
N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685898
2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 79979937
3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785864

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine (CID 43309993) is 1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine is CCc1ccc(C(CC)NCC2CCCO2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is DCMQLWMUCKDCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13-7-9-14(10-8-13)16(4-2)17-12-15-6-5-11-18-15/h7-10,15-17H,3-6,11-12H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine?
1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.47, 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-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 43309993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).