N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine

C16H25NO2 — CID 62594249

IUPACN-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine
SMILESCOc1cccc(C2(CNC(C)C)CCOCC2)c1
InChIInChI=1S/C16H25NO2/c1-13(2)17-12-16(7-9-19-10-8-16)14-5-4-6-15(11-14)18-3/h4-6,11,13,17H,7-10,12H2,1-3H3
InChIKeyXFDHSSVCXMPLMN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.74
Rot. Bonds5

About N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine

N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine (PubChem CID 62594249) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine
PubChem CID62594249
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine
SMILESCOc1cccc(C2(CNC(C)C)CCOCC2)c1
InChIInChI=1S/C16H25NO2/c1-13(2)17-12-16(7-9-19-10-8-16)14-5-4-6-15(11-14)18-3/h4-6,11,13,17H,7-10,12H2,1-3H3
InChIKeyXFDHSSVCXMPLMN-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62595549
N-[[4-(3-methoxy-4-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596439
[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029
N-[[4-(3,4-dimethylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 55131240
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596994
2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride
CID 170893568
N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63511751
1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine
CID 71862794
2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792751
N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine
CID 62594784
N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616
N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine
CID 65353208

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine (CID 62594249) is N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine is COc1cccc(C2(CNC(C)C)CCOCC2)c1.
What is the InChIKey of N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine?
The InChIKey is XFDHSSVCXMPLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)17-12-16(7-9-19-10-8-16)14-5-4-6-15(11-14)18-3/h4-6,11,13,17H,7-10,12H2,1-3H3.
What are the key properties of N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine?
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62594249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).