[3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine

C15H24N2O2 — CID 117052051

IUPAC[3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine
SMILESCOc1cccc(CN)c1OC1CCCN(C)CC1
InChIInChI=1S/C15H24N2O2/c1-17-9-4-6-13(8-10-17)19-15-12(11-16)5-3-7-14(15)18-2/h3,5,7,13H,4,6,8-11,16H2,1-2H3
InChIKeyOCBSBRHOVRYKCS-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.02
Rot. Bonds4

About [3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine

[3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine (PubChem CID 117052051) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine
PubChem CID117052051
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine
SMILESCOc1cccc(CN)c1OC1CCCN(C)CC1
InChIInChI=1S/C15H24N2O2/c1-17-9-4-6-13(8-10-17)19-15-12(11-16)5-3-7-14(15)18-2/h3,5,7,13H,4,6,8-11,16H2,1-2H3
InChIKeyOCBSBRHOVRYKCS-UHFFFAOYSA-N
XLogP2.02
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 115004761
3-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]propanal
CID 117444674
1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol
CID 117470886
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine
CID 117347185
[2-(chloromethyl)-6-methoxyphenoxy]cycloheptane
CID 82927927
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111564178
2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol
CID 117448321
3-amino-2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493379
4-[3-(2-cyclopentyloxy-3-methoxyphenyl)propyl]morpholine
CID 170870157

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine?
The IUPAC name of [3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine (CID 117052051) is [3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine.
What is the SMILES notation for [3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine?
The canonical SMILES for [3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine is COc1cccc(CN)c1OC1CCCN(C)CC1.
What is the InChIKey of [3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine?
The InChIKey is OCBSBRHOVRYKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17-9-4-6-13(8-10-17)19-15-12(11-16)5-3-7-14(15)18-2/h3,5,7,13H,4,6,8-11,16H2,1-2H3.
What are the key properties of [3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine?
[3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine has a molecular weight of 264.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine is sourced from PubChem (CID 117052051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).