N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine

C15H20ClN3 — CID 114854525

IUPACN-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine
SMILESCc1ncn(-c2cc(Cl)ccc2CNC(C)C)c1C
InChIInChI=1S/C15H20ClN3/c1-10(2)17-8-13-5-6-14(16)7-15(13)19-9-18-11(3)12(19)4/h5-7,9-10,17H,8H2,1-4H3
InChIKeySPJUVGAGMMRZET-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.64
Rot. Bonds4

About N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine

N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 114854525) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine
PubChem CID114854525
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine
SMILESCc1ncn(-c2cc(Cl)ccc2CNC(C)C)c1C
InChIInChI=1S/C15H20ClN3/c1-10(2)17-8-13-5-6-14(16)7-15(13)19-9-18-11(3)12(19)4/h5-7,9-10,17H,8H2,1-4H3
InChIKeySPJUVGAGMMRZET-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-1-amine
CID 114854519
1-[2-(bromomethyl)-5-chlorophenyl]-4,5-dimethylimidazole
CID 107086042
N-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
CID 114854107
N-[(4-chloro-2-indazol-1-ylphenyl)methyl]propan-2-amine
CID 114854473
N-[[1-[(4-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 114851493
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 114849158
1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836700
N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114852030
8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114851448
5-chloro-2-(4,5-dimethylimidazol-1-yl)benzoic acid
CID 62352145
N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 114854134
[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 114848744

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine (CID 114854525) is N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine is Cc1ncn(-c2cc(Cl)ccc2CNC(C)C)c1C.
What is the InChIKey of N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is SPJUVGAGMMRZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-10(2)17-8-13-5-6-14(16)7-15(13)19-9-18-11(3)12(19)4/h5-7,9-10,17H,8H2,1-4H3.
What are the key properties of N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine?
N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 277.80 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 114854525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).