1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine

C16H25NO2 — CID 65154898

IUPAC1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine
SMILESCOCCc1ccc(C(N)CCC2CCCO2)cc1
InChIInChI=1S/C16H25NO2/c1-18-12-10-13-4-6-14(7-5-13)16(17)9-8-15-3-2-11-19-15/h4-7,15-16H,2-3,8-12,17H2,1H3
InChIKeyQQVPVNLZFHMFMC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.83
Rot. Bonds7

About 1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine

1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine (PubChem CID 65154898) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine
PubChem CID65154898
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine
SMILESCOCCc1ccc(C(N)CCC2CCCO2)cc1
InChIInChI=1S/C16H25NO2/c1-18-12-10-13-4-6-14(7-5-13)16(17)9-8-15-3-2-11-19-15/h4-7,15-16H,2-3,8-12,17H2,1H3
InChIKeyQQVPVNLZFHMFMC-UHFFFAOYSA-N
XLogP2.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63952731
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-[4-(2-methoxyethyl)phenyl]butan-1-amine
CID 43198365
2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane
CID 61097079
[3-(oxolan-2-yl)-1-(4-propylphenyl)propyl]hydrazine
CID 105303812
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 105013577
1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993546
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65167390
1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993395
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167177
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine
CID 65158359
1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 83056985

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine (CID 65154898) is 1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine is COCCc1ccc(C(N)CCC2CCCO2)cc1.
What is the InChIKey of 1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is QQVPVNLZFHMFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-18-12-10-13-4-6-14(7-5-13)16(17)9-8-15-3-2-11-19-15/h4-7,15-16H,2-3,8-12,17H2,1H3.
What are the key properties of 1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine?
1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 65154898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).