1-(4-methoxyphenyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine

C17H28N2O2 — CID 62986927

IUPAC1-(4-methoxyphenyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
SMILESCNC(c1ccc(OC)cc1)C(C)N1CCCOC(C)C1
InChIInChI=1S/C17H28N2O2/c1-13-12-19(10-5-11-21-13)14(2)17(18-3)15-6-8-16(20-4)9-7-15/h6-9,13-14,17-18H,5,10-12H2,1-4H3
InChIKeyLGFSRADXQNRKQL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.45
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine

1-(4-methoxyphenyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine (PubChem CID 62986927) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
PubChem CID62986927
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(4-methoxyphenyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
SMILESCNC(c1ccc(OC)cc1)C(C)N1CCCOC(C)C1
InChIInChI=1S/C17H28N2O2/c1-13-12-19(10-5-11-21-13)14(2)17(18-3)15-6-8-16(20-4)9-7-15/h6-9,13-14,17-18H,5,10-12H2,1-4H3
InChIKeyLGFSRADXQNRKQL-UHFFFAOYSA-N
XLogP2.45
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62973065
1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 102965616
N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine
CID 62974266
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol
CID 103857720
N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine
CID 64708050
methyl 5-[1-(2-methyl-1,4-oxazepan-4-yl)ethyl]furan-2-carboxylate
CID 78920571
1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481680
1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine
CID 63624077
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine
CID 106586627
N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
CID 81019358
N-[bis(4-methoxyphenyl)methyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 30263510
1-(4-methoxyphenyl)-N-methyl-2-propan-2-ylsulfonylpropan-1-amine
CID 64674623

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine (CID 62986927) is 1-(4-methoxyphenyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine is CNC(c1ccc(OC)cc1)C(C)N1CCCOC(C)C1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine?
The InChIKey is LGFSRADXQNRKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-12-19(10-5-11-21-13)14(2)17(18-3)15-6-8-16(20-4)9-7-15/h6-9,13-14,17-18H,5,10-12H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine?
1-(4-methoxyphenyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine is sourced from PubChem (CID 62986927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).