N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine

C15H24N2O — CID 62974479

IUPACN-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCCOCC2)c1
InChIInChI=1S/C15H24N2O/c1-2-16-12-14-5-3-6-15(11-14)13-17-7-4-9-18-10-8-17/h3,5-6,11,16H,2,4,7-10,12-13H2,1H3
InChIKeyWEIWMTKUODOUEQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.02
Rot. Bonds5

About N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine

N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine (PubChem CID 62974479) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
PubChem CID62974479
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCCOCC2)c1
InChIInChI=1S/C15H24N2O/c1-2-16-12-14-5-3-6-15(11-14)13-17-7-4-9-18-10-8-17/h3,5-6,11,16H,2,4,7-10,12-13H2,1H3
InChIKeyWEIWMTKUODOUEQ-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(1,4-oxazepan-4-ylmethyl)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

N-[[4-methoxy-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62986419
N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62425610
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62433615
1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 136522349
1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea
CID 112838284
2-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111416322
2-methyl-1-(3-methylbutan-2-yl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111000377
3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119847390
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 51090955

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine (CID 62974479) is N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine is CCNCc1cccc(CN2CCCOCC2)c1.
What is the InChIKey of N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine?
The InChIKey is WEIWMTKUODOUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-16-12-14-5-3-6-15(11-14)13-17-7-4-9-18-10-8-17/h3,5-6,11,16H,2,4,7-10,12-13H2,1H3.
What are the key properties of N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine?
N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62974479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).