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

C15H19Cl2N3 — CID 119122490

IUPACN-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
SMILESCc1nccn1CC(C)CNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3/c1-11(10-20-6-5-19-12(20)2)8-18-9-13-3-4-14(16)7-15(13)17/h3-7,11,18H,8-10H2,1-2H3
InChIKeyKUCZRLHEGVUISU-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.92
Rot. Bonds6

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

N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine (PubChem CID 119122490) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
PubChem CID119122490
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
SMILESCc1nccn1CC(C)CNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3/c1-11(10-20-6-5-19-12(20)2)8-18-9-13-3-4-14(16)7-15(13)17/h3-7,11,18H,8-10H2,1-2H3
InChIKeyKUCZRLHEGVUISU-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(2-methylimidazol-1-yl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 119122493
2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 119122377
N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122410
N-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122506
2-(2,4-dichlorophenoxy)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 60559289
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122572
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122482
2-methyl-3-(2-methylimidazol-1-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 119122577
2-methyl-3-(2-methylimidazol-1-yl)-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 119122449
3-[[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]methyl]benzonitrile
CID 119122446
1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-ol
CID 70524661
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122574

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine (CID 119122490) is N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine is Cc1nccn1CC(C)CNCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
The InChIKey is KUCZRLHEGVUISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-11(10-20-6-5-19-12(20)2)8-18-9-13-3-4-14(16)7-15(13)17/h3-7,11,18H,8-10H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine has a molecular weight of 312.24 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 119122490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).