N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine

C17H24ClN3 — CID 81145297

IUPACN-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCCc1nccn1-c1ccc(CNC(C)(C)C)cc1Cl
InChIInChI=1S/C17H24ClN3/c1-5-6-16-19-9-10-21(16)15-8-7-13(11-14(15)18)12-20-17(2,3)4/h7-11,20H,5-6,12H2,1-4H3
InChIKeyVRJGSZKIUIONPI-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.37
Rot. Bonds5

About N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine

N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 81145297) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID81145297
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCCc1nccn1-c1ccc(CNC(C)(C)C)cc1Cl
InChIInChI=1S/C17H24ClN3/c1-5-6-16-19-9-10-21(16)15-8-7-13(11-14(15)18)12-20-17(2,3)4/h7-11,20H,5-6,12H2,1-4H3
InChIKeyVRJGSZKIUIONPI-UHFFFAOYSA-N
XLogP4.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-chloro-6-methylphenyl)-3,12-dimethyl-1,3,5,7,11-pentazatricyclo[7.3.0.02,6]dodeca-4,7,9,11-tetraen-8-amine
CID 11186505
N-(2-chloro-6-methylphenyl)-3,5,12-trimethyl-1,3,4,7,11-pentazatricyclo[7.3.0.02,6]dodeca-4,7,9,11-tetraen-8-amine
CID 11439306
N-((2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-imidazol-4-yl)methyl)cyclopentanamine
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5-[3-chloro-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine (CID 81145297) is N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine is CCCc1nccn1-c1ccc(CNC(C)(C)C)cc1Cl.
What is the InChIKey of N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is VRJGSZKIUIONPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-5-6-16-19-9-10-21(16)15-8-7-13(11-14(15)18)12-20-17(2,3)4/h7-11,20H,5-6,12H2,1-4H3.
What are the key properties of N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 305.85 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81145297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).