N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,4-dichlorophenyl)-N-methylmethanamine

C15H17Cl2N3 — CID 91843796

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,4-dichlorophenyl)-N-methylmethanamine
SMILESCN(Cc1ccc(Cl)cc1Cl)Cc1cncn1C1CC1
InChIInChI=1S/C15H17Cl2N3/c1-19(8-11-2-3-12(16)6-15(11)17)9-14-7-18-10-20(14)13-4-5-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3
InChIKeyRPOMCQZVPOAFDP-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.16
Rot. Bonds5

About N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,4-dichlorophenyl)-N-methylmethanamine

N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,4-dichlorophenyl)-N-methylmethanamine (PubChem CID 91843796) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,4-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,4-dichlorophenyl)-N-methylmethanamine
PubChem CID91843796
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,4-dichlorophenyl)-N-methylmethanamine
SMILESCN(Cc1ccc(Cl)cc1Cl)Cc1cncn1C1CC1
InChIInChI=1S/C15H17Cl2N3/c1-19(8-11-2-3-12(16)6-15(11)17)9-14-7-18-10-20(14)13-4-5-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3
InChIKeyRPOMCQZVPOAFDP-UHFFFAOYSA-N
XLogP4.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropylimidazol-4-yl)-2-(2,4-dichlorophenyl)ethanol
CID 66141868
N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 115263252
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 55002903
(1R)-1-[5-chloro-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66154464
methyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate
CID 66153110
1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258760
1-(3-cyclohexylimidazol-4-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine
CID 91837101
4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-fluoroaniline
CID 66162716
N-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine
CID 91841195
3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine
CID 115215774
N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine
CID 5150681

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,4-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,4-dichlorophenyl)-N-methylmethanamine (CID 91843796) is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,4-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,4-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,4-dichlorophenyl)-N-methylmethanamine is CN(Cc1ccc(Cl)cc1Cl)Cc1cncn1C1CC1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,4-dichlorophenyl)-N-methylmethanamine?
The InChIKey is RPOMCQZVPOAFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-19(8-11-2-3-12(16)6-15(11)17)9-14-7-18-10-20(14)13-4-5-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,4-dichlorophenyl)-N-methylmethanamine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,4-dichlorophenyl)-N-methylmethanamine has a molecular weight of 310.23 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,4-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 91843796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).