N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine

C18H23ClN2O — CID 4720934

IUPACN'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C18H23ClN2O/c1-20-10-5-11-21-13-16-12-17(19)8-9-18(16)22-14-15-6-3-2-4-7-15/h2-4,6-9,12,20-21H,5,10-11,13-14H2,1H3
InChIKeyVENZVVXHHNXAJJ-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.62
Rot. Bonds9

About N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine

N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine (PubChem CID 4720934) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine
PubChem CID4720934
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC NameN'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C18H23ClN2O/c1-20-10-5-11-21-13-16-12-17(19)8-9-18(16)22-14-15-6-3-2-4-7-15/h2-4,6-9,12,20-21H,5,10-11,13-14H2,1H3
InChIKeyVENZVVXHHNXAJJ-UHFFFAOYSA-N
XLogP3.62
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine 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'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215547
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720041
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N',N'-dibutyl-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]propane-1,3-diamine
CID 17214610
N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720637
N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine
CID 102939430
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]heptan-1-amine
CID 4716941
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]hexan-1-amine;hydrochloride
CID 17291134
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine
CID 4717131
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride
CID 17291027

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine (CID 4720934) is N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine is CNCCCNCc1cc(Cl)ccc1OCc1ccccc1.
What is the InChIKey of N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine?
The InChIKey is VENZVVXHHNXAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O/c1-20-10-5-11-21-13-16-12-17(19)8-9-18(16)22-14-15-6-3-2-4-7-15/h2-4,6-9,12,20-21H,5,10-11,13-14H2,1H3.
What are the key properties of N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine?
N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine has a molecular weight of 318.85 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 4720934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).