N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine

C14H21NO2 — CID 61276481

IUPACN-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)C1CCOC1
InChIInChI=1S/C14H21NO2/c1-3-15-14(12-8-9-17-10-12)11-4-6-13(16-2)7-5-11/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeyMQDIXRBLSKVRSO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.38
Rot. Bonds5

About N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine

N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine (PubChem CID 61276481) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
PubChem CID61276481
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)C1CCOC1
InChIInChI=1S/C14H21NO2/c1-3-15-14(12-8-9-17-10-12)11-4-6-13(16-2)7-5-11/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeyMQDIXRBLSKVRSO-UHFFFAOYSA-N
XLogP2.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276557
N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine
CID 61276508
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 62905659
N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276509
N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115856447
N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63557627
N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62906192
N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 104657640
N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 116506203
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563793

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine (CID 61276481) is N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine is CCNC(c1ccc(OC)cc1)C1CCOC1.
What is the InChIKey of N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine?
The InChIKey is MQDIXRBLSKVRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-15-14(12-8-9-17-10-12)11-4-6-13(16-2)7-5-11/h4-7,12,14-15H,3,8-10H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine?
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 61276481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).