3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine

C16H25NO2 — CID 43182521

IUPAC3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine
SMILESc1ccc(CCNCCCOCC2CCCO2)cc1
InChIInChI=1S/C16H25NO2/c1-2-6-15(7-3-1)9-11-17-10-5-12-18-14-16-8-4-13-19-16/h1-3,6-7,16-17H,4-5,8-14H2
InChIKeyHGMQOCNBDNHHSA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.40
Rot. Bonds9

About 3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine

3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine (PubChem CID 43182521) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine
PubChem CID43182521
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine
SMILESc1ccc(CCNCCCOCC2CCCO2)cc1
InChIInChI=1S/C16H25NO2/c1-2-6-15(7-3-1)9-11-17-10-5-12-18-14-16-8-4-13-19-16/h1-3,6-7,16-17H,4-5,8-14H2
InChIKeyHGMQOCNBDNHHSA-UHFFFAOYSA-N
XLogP2.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(oxolan-2-ylmethoxy)propyl]-3-phenylpropan-1-amine
CID 43182561
3-(oxolan-2-ylmethoxy)-N-[(3-phenoxyphenyl)methyl]propan-1-amine
CID 75858662
N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182486
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 79883823
1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111409332
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 62760624
N-[(3,4-difluorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182506
methyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
CID 43232042
N-[2-(3-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163255
N-[(4-bromo-3-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 103581519

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine?
The IUPAC name of 3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine (CID 43182521) is 3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine.
What is the SMILES notation for 3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine?
The canonical SMILES for 3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine is c1ccc(CCNCCCOCC2CCCO2)cc1.
What is the InChIKey of 3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine?
The InChIKey is HGMQOCNBDNHHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-6-15(7-3-1)9-11-17-10-5-12-18-14-16-8-4-13-19-16/h1-3,6-7,16-17H,4-5,8-14H2.
What are the key properties of 3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine?
3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine is sourced from PubChem (CID 43182521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).