N-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine

C16H21Cl2N3O — CID 29225349

IUPACN-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESCCCOc1c(Cl)cc(Cl)cc1CNCCCn1ccnc1
InChIInChI=1S/C16H21Cl2N3O/c1-2-8-22-16-13(9-14(17)10-15(16)18)11-19-4-3-6-21-7-5-20-12-21/h5,7,9-10,12,19H,2-4,6,8,11H2,1H3
InChIKeyDYSGZPQVKZKBKY-UHFFFAOYSA-N
MW342.27 g/mol
LogP4.16
Rot. Bonds9

About N-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine

N-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 29225349) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID29225349
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC NameN-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESCCCOc1c(Cl)cc(Cl)cc1CNCCCn1ccnc1
InChIInChI=1S/C16H21Cl2N3O/c1-2-8-22-16-13(9-14(17)10-15(16)18)11-19-4-3-6-21-7-5-20-12-21/h5,7,9-10,12,19H,2-4,6,8,11H2,1H3
InChIKeyDYSGZPQVKZKBKY-UHFFFAOYSA-N
XLogP4.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine 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-bromo-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 29224809
1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine
CID 61493243
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 29241701
N-[(3-bromo-4-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 29222813
N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 60788679
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784
N-[[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 115952959
1-(3-imidazol-1-ylpropyl)-2-methyl-3-[2-(2,4,6-trichlorophenoxy)ethyl]guanidine;hydroiodide
CID 109464333
N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449939
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17155455
N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 66529631
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155442

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine (CID 29225349) is N-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine is CCCOc1c(Cl)cc(Cl)cc1CNCCCn1ccnc1.
What is the InChIKey of N-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is DYSGZPQVKZKBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O/c1-2-8-22-16-13(9-14(17)10-15(16)18)11-19-4-3-6-21-7-5-20-12-21/h5,7,9-10,12,19H,2-4,6,8,11H2,1H3.
What are the key properties of N-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 342.27 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 29225349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).