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

C16H25NO — CID 79367506

IUPACN-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCCc1ccc(C2OCCC2CNC(C)C)cc1
InChIInChI=1S/C16H25NO/c1-4-13-5-7-14(8-6-13)16-15(9-10-18-16)11-17-12(2)3/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyPTCLQHLQMHWVAS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.32
Rot. Bonds5

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

N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 79367506) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID79367506
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCCc1ccc(C2OCCC2CNC(C)C)cc1
InChIInChI=1S/C16H25NO/c1-4-13-5-7-14(8-6-13)16-15(9-10-18-16)11-17-12(2)3/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyPTCLQHLQMHWVAS-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine
CID 79368351
N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368166
N-[[2-(4-bromo-3-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 81441664
N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368925
N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368826
N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033706
N-[[2-(4-bromo-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365469
N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine
CID 79368430
N-[[2-(4-fluoro-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365740
(1S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[(3R)-oxolan-3-yl]ethanamine
CID 125419572
1-(oxan-4-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine
CID 128999830
N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
CID 79367501

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine (CID 79367506) is N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine is CCc1ccc(C2OCCC2CNC(C)C)cc1.
What is the InChIKey of N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is PTCLQHLQMHWVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-13-5-7-14(8-6-13)16-15(9-10-18-16)11-17-12(2)3/h5-8,12,15-17H,4,9-11H2,1-3H3.
What are the key properties of N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine?
N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 79367506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).