N-[(4-methoxyphenyl)methyl]oxolan-3-amine

C12H17NO2 — CID 63332037

IUPACN-[(4-methoxyphenyl)methyl]oxolan-3-amine
SMILESCOc1ccc(CNC2CCOC2)cc1
InChIInChI=1S/C12H17NO2/c1-14-12-4-2-10(3-5-12)8-13-11-6-7-15-9-11/h2-5,11,13H,6-9H2,1H3
InChIKeyLTVVJOKMMXFIHE-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.57
Rot. Bonds4

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

N-[(4-methoxyphenyl)methyl]oxolan-3-amine (PubChem CID 63332037) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]oxolan-3-amine
PubChem CID63332037
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[(4-methoxyphenyl)methyl]oxolan-3-amine
SMILESCOc1ccc(CNC2CCOC2)cc1
InChIInChI=1S/C12H17NO2/c1-14-12-4-2-10(3-5-12)8-13-11-6-7-15-9-11/h2-5,11,13H,6-9H2,1H3
InChIKeyLTVVJOKMMXFIHE-UHFFFAOYSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310
N-(pyridin-4-ylmethyl)oxolan-3-amine
CID 63331890
N-[(4-butoxyphenyl)methyl]oxan-3-amine
CID 63360097
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 53255554
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560755
(3S,6S)-6-benzhydryl-N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 52951980

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]oxolan-3-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]oxolan-3-amine (CID 63332037) is N-[(4-methoxyphenyl)methyl]oxolan-3-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]oxolan-3-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]oxolan-3-amine is COc1ccc(CNC2CCOC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]oxolan-3-amine?
The InChIKey is LTVVJOKMMXFIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-12-4-2-10(3-5-12)8-13-11-6-7-15-9-11/h2-5,11,13H,6-9H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]oxolan-3-amine?
N-[(4-methoxyphenyl)methyl]oxolan-3-amine has a molecular weight of 207.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 63332037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).