N-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine

C14H18ClN3 — CID 63071720

IUPACN-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1c(Cl)cccc1-n1ccnc1
InChIInChI=1S/C14H18ClN3/c1-14(2,3)17-9-11-12(15)5-4-6-13(11)18-8-7-16-10-18/h4-8,10,17H,9H2,1-3H3
InChIKeyWTPMQFPKPFDLOP-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.41
Rot. Bonds3

About N-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine

N-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 63071720) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
PubChem CID63071720
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1c(Cl)cccc1-n1ccnc1
InChIInChI=1S/C14H18ClN3/c1-14(2,3)17-9-11-12(15)5-4-6-13(11)18-8-7-16-10-18/h4-8,10,17H,9H2,1-3H3
InChIKeyWTPMQFPKPFDLOP-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071920
N-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63070188
N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine
CID 107444874
1-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-3-(4-methylphenyl)sulfonylurea
CID 3729504
N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446934
1-[(2-chloro-6-imidazol-1-ylphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122015806
N-[[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114319805
1-[2,3-di(imidazol-1-yl)phenyl]imidazole
CID 141435532
1-[2-(2,2-dimethylpropyl)phenyl]imidazole
CID 169321927
4-[4-[(2-chloro-6-imidazol-1-ylphenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 154872697
N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline
CID 60789771
3-imidazol-1-yl-2-(methylsulfanylmethyl)aniline
CID 154245904

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine (CID 63071720) is N-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1c(Cl)cccc1-n1ccnc1.
What is the InChIKey of N-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is WTPMQFPKPFDLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-14(2,3)17-9-11-12(15)5-4-6-13(11)18-8-7-16-10-18/h4-8,10,17H,9H2,1-3H3.
What are the key properties of N-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine?
N-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 263.77 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63071720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).