2-(3-chlorophenyl)-2-methylpropan-1-imine

C10H12ClN — CID 123713215

IUPAC2-(3-chlorophenyl)-2-methylpropan-1-imine
SMILES[H]/N=C/C(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClN/c1-10(2,7-12)8-4-3-5-9(11)6-8/h3-7,12H,1-2H3/b12-7+
InChIKeyXKDWEMXVFKFBKX-KPKJPENVSA-N
MW181.67 g/mol
LogP3.27
Rot. Bonds2

About 2-(3-chlorophenyl)-2-methylpropan-1-imine

2-(3-chlorophenyl)-2-methylpropan-1-imine (PubChem CID 123713215) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-methylpropan-1-imine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-methylpropan-1-imine
PubChem CID123713215
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name2-(3-chlorophenyl)-2-methylpropan-1-imine
SMILES[H]/N=C/C(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClN/c1-10(2,7-12)8-4-3-5-9(11)6-8/h3-7,12H,1-2H3/b12-7+
InChIKeyXKDWEMXVFKFBKX-KPKJPENVSA-N
XLogP3.27
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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2-amino-4-(3-chlorophenyl)-4-methylpent-2-enoic acid
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2-chloro-2-phenylpropan-1-imine
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1-tert-butyl-3-chlorobenzene;sulfuryl dichloride
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CID 175477647
1-tert-butyl-3-chlorobenzene;methyl formate
CID 156883526
[1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite
CID 150613645
2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 10585384
1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-methylpropan-1-imine?
The IUPAC name of 2-(3-chlorophenyl)-2-methylpropan-1-imine (CID 123713215) is 2-(3-chlorophenyl)-2-methylpropan-1-imine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-methylpropan-1-imine?
The canonical SMILES for 2-(3-chlorophenyl)-2-methylpropan-1-imine is [H]/N=C/C(C)(C)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-methylpropan-1-imine?
The InChIKey is XKDWEMXVFKFBKX-KPKJPENVSA-N. The full InChI is InChI=1S/C10H12ClN/c1-10(2,7-12)8-4-3-5-9(11)6-8/h3-7,12H,1-2H3/b12-7+.
What are the key properties of 2-(3-chlorophenyl)-2-methylpropan-1-imine?
2-(3-chlorophenyl)-2-methylpropan-1-imine has a molecular weight of 181.67 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-methylpropan-1-imine is sourced from PubChem (CID 123713215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).