N-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine

C17H28N2O2 — CID 62988833

IUPACN-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)c(CN2CCCOC(C)C2)c1
InChIInChI=1S/C17H28N2O2/c1-4-18-11-15-6-7-17(20-3)16(10-15)13-19-8-5-9-21-14(2)12-19/h6-7,10,14,18H,4-5,8-9,11-13H2,1-3H3
InChIKeyFCETZPMXTIAHCP-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.42
Rot. Bonds6

About N-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine

N-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 62988833) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine
PubChem CID62988833
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)c(CN2CCCOC(C)C2)c1
InChIInChI=1S/C17H28N2O2/c1-4-18-11-15-6-7-17(20-3)16(10-15)13-19-8-5-9-21-14(2)12-19/h6-7,10,14,18H,4-5,8-9,11-13H2,1-3H3
InChIKeyFCETZPMXTIAHCP-UHFFFAOYSA-N
XLogP2.42
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

Analyze N-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]-N-methylmethanamine
CID 62988832
N-[[4-methoxy-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62986419
2-methoxy-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]aniline
CID 62987382
2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 82980162
N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62019466
2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 82980019
(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-methyl-1,4-oxazepane
CID 99930964
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide
CID 77084796
4-[(2-bromo-5-methoxyphenyl)methyl]-2-methyl-1,4-oxazepane
CID 65326119
N'-hydroxy-2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]benzenecarboximidamide
CID 106789382
4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 51074764

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine (CID 62988833) is N-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine is CCNCc1ccc(OC)c(CN2CCCOC(C)C2)c1.
What is the InChIKey of N-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is FCETZPMXTIAHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-18-11-15-6-7-17(20-3)16(10-15)13-19-8-5-9-21-14(2)12-19/h6-7,10,14,18H,4-5,8-9,11-13H2,1-3H3.
What are the key properties of N-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine?
N-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62988833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).