N-[(3,4-dichlorophenyl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine

C13H15Cl2N3 — CID 67833801

IUPACN-[(3,4-dichlorophenyl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine
SMILESClc1ccc(CNCCCc2ncc[nH]2)cc1Cl
InChIInChI=1S/C13H15Cl2N3/c14-11-4-3-10(8-12(11)15)9-16-5-1-2-13-17-6-7-18-13/h3-4,6-8,16H,1-2,5,9H2,(H,17,18)
InChIKeyCZLDFRBRRACJFL-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.44
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine

N-[(3,4-dichlorophenyl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine (PubChem CID 67833801) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine
PubChem CID67833801
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine
SMILESClc1ccc(CNCCCc2ncc[nH]2)cc1Cl
InChIInChI=1S/C13H15Cl2N3/c14-11-4-3-10(8-12(11)15)9-16-5-1-2-13-17-6-7-18-13/h3-4,6-8,16H,1-2,5,9H2,(H,17,18)
InChIKeyCZLDFRBRRACJFL-UHFFFAOYSA-N
XLogP3.44
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine (CID 67833801) is N-[(3,4-dichlorophenyl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine is Clc1ccc(CNCCCc2ncc[nH]2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine?
The InChIKey is CZLDFRBRRACJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c14-11-4-3-10(8-12(11)15)9-16-5-1-2-13-17-6-7-18-13/h3-4,6-8,16H,1-2,5,9H2,(H,17,18).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine?
N-[(3,4-dichlorophenyl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine has a molecular weight of 284.19 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine is sourced from PubChem (CID 67833801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).