N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine

C16H24ClNO2 — CID 65196229

IUPACN-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Cc2cc(Cl)ccc2OC)CCC1
InChIInChI=1S/C16H24ClNO2/c1-19-9-8-18-12-16(6-3-7-16)11-13-10-14(17)4-5-15(13)20-2/h4-5,10,18H,3,6-9,11-12H2,1-2H3
InChIKeyJTFLRRZWDGWBEI-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.30
Rot. Bonds8

About N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine

N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine (PubChem CID 65196229) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
PubChem CID65196229
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Cc2cc(Cl)ccc2OC)CCC1
InChIInChI=1S/C16H24ClNO2/c1-19-9-8-18-12-16(6-3-7-16)11-13-10-14(17)4-5-15(13)20-2/h4-5,10,18H,3,6-9,11-12H2,1-2H3
InChIKeyJTFLRRZWDGWBEI-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine 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-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194491
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025564
N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62725191
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023806
N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
CID 65196722
1-(5-chloro-2-methoxyphenyl)-N-[[1-(chloromethyl)cyclopentyl]methyl]methanamine
CID 113294642
N-[[1-[(5-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 62725210
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
CID 66034885
[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358964
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 62726004
2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 62723981
1-[3-[(5-chloro-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 55111253

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine (CID 65196229) is N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine is COCCNCC1(Cc2cc(Cl)ccc2OC)CCC1.
What is the InChIKey of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine?
The InChIKey is JTFLRRZWDGWBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-19-9-8-18-12-16(6-3-7-16)11-13-10-14(17)4-5-15(13)20-2/h4-5,10,18H,3,6-9,11-12H2,1-2H3.
What are the key properties of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine?
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine has a molecular weight of 297.83 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65196229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).