1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine

C16H26N2O — CID 55249009

IUPAC1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine
SMILESCOc1cccc(C(N)CN2CCCC(C)CC2)c1
InChIInChI=1S/C16H26N2O/c1-13-5-4-9-18(10-8-13)12-16(17)14-6-3-7-15(11-14)19-2/h3,6-7,11,13,16H,4-5,8-10,12,17H2,1-2H3
InChIKeyLHUQZDKLIVHIMI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.82
Rot. Bonds4

About 1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine

1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine (PubChem CID 55249009) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine
PubChem CID55249009
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine
SMILESCOc1cccc(C(N)CN2CCCC(C)CC2)c1
InChIInChI=1S/C16H26N2O/c1-13-5-4-9-18(10-8-13)12-16(17)14-6-3-7-15(11-14)19-2/h3,6-7,11,13,16H,4-5,8-10,12,17H2,1-2H3
InChIKeyLHUQZDKLIVHIMI-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 107521219
1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16786895
1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 16788275
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine
CID 79938583
1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537738
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-methoxyphenyl)ethanamine
CID 65320749
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine
CID 174368771
2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16792621
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine
CID 55161156
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 81134246
1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine
CID 83978094

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine (CID 55249009) is 1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine is COc1cccc(C(N)CN2CCCC(C)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine?
The InChIKey is LHUQZDKLIVHIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-5-4-9-18(10-8-13)12-16(17)14-6-3-7-15(11-14)19-2/h3,6-7,11,13,16H,4-5,8-10,12,17H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine?
1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine is sourced from PubChem (CID 55249009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).