1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine

C16H23NO2 — CID 117408208

IUPAC1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine
SMILESCOc1ccc(C2CCOCC2)cc1CC1(N)CC1
InChIInChI=1S/C16H23NO2/c1-18-15-3-2-13(12-4-8-19-9-5-12)10-14(15)11-16(17)6-7-16/h2-3,10,12H,4-9,11,17H2,1H3
InChIKeyQEIUBGKXJSCFAQ-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.62
Rot. Bonds4

About 1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine

1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117408208) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117408208
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine
SMILESCOc1ccc(C2CCOCC2)cc1CC1(N)CC1
InChIInChI=1S/C16H23NO2/c1-18-15-3-2-13(12-4-8-19-9-5-12)10-14(15)11-16(17)6-7-16/h2-3,10,12H,4-9,11,17H2,1H3
InChIKeyQEIUBGKXJSCFAQ-UHFFFAOYSA-N
XLogP2.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid
CID 117379181
4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine
CID 83824702
4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine
CID 117467793
2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol
CID 117381624
3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine
CID 117413737
3-amino-3-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
CID 117447910
4-[3-(1-isocyanatocyclopropyl)-4-methoxyphenyl]oxane
CID 117435813
1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65084029
1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036
1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117343094
2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
CID 117415323
2-[2-methoxy-5-(thian-4-yl)phenyl]acetonitrile
CID 117371708

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine (CID 117408208) is 1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine is COc1ccc(C2CCOCC2)cc1CC1(N)CC1.
What is the InChIKey of 1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is QEIUBGKXJSCFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-15-3-2-13(12-4-8-19-9-5-12)10-14(15)11-16(17)6-7-16/h2-3,10,12H,4-9,11,17H2,1H3.
What are the key properties of 1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine?
1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 261.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117408208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).