1-[2-(4-chlorophenyl)-2-methylcyclopropyl]ethanimine

C12H14ClN — CID 141035395

IUPAC1-[2-(4-chlorophenyl)-2-methylcyclopropyl]ethanimine
SMILES[H]/N=C(\C)C1CC1(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN/c1-8(14)11-7-12(11,2)9-3-5-10(13)6-4-9/h3-6,11,14H,7H2,1-2H3/b14-8+
InChIKeyKNORIEXPVWRVIB-RIYZIHGNSA-N
MW207.70 g/mol
LogP3.66
Rot. Bonds2

About 1-[2-(4-chlorophenyl)-2-methylcyclopropyl]ethanimine

1-[2-(4-chlorophenyl)-2-methylcyclopropyl]ethanimine (PubChem CID 141035395) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-methylcyclopropyl]ethanimine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-methylcyclopropyl]ethanimine
PubChem CID141035395
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name1-[2-(4-chlorophenyl)-2-methylcyclopropyl]ethanimine
SMILES[H]/N=C(\C)C1CC1(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN/c1-8(14)11-7-12(11,2)9-3-5-10(13)6-4-9/h3-6,11,14H,7H2,1-2H3/b14-8+
InChIKeyKNORIEXPVWRVIB-RIYZIHGNSA-N
XLogP3.66
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 53.66
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

2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 62388315
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
[1-(4-chlorophenyl)-2-methylcyclopropyl]methanol
CID 116842443
2-(4-chlorophenyl)-2-methyl-N-prop-1-en-2-yl-N-prop-1-en-2-yloxycyclobutane-1-carboxamide
CID 91511964
methyl 4-chlorobenzenecarboximidothioate
CID 2777318
2-(4-chlorophenyl)-2-methylpiperidin-4-ol
CID 83537285
1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-imine
CID 11218898
5-[(1S,2S)-2-(4-chlorophenyl)-2-methylcyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide
CID 88610945
trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide
CID 102346584
(1S)-N-tert-butyl-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide
CID 40565914
1-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene
CID 169282339

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-methylcyclopropyl]ethanimine?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-methylcyclopropyl]ethanimine (CID 141035395) is 1-[2-(4-chlorophenyl)-2-methylcyclopropyl]ethanimine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-methylcyclopropyl]ethanimine?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-methylcyclopropyl]ethanimine is [H]/N=C(\C)C1CC1(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-methylcyclopropyl]ethanimine?
The InChIKey is KNORIEXPVWRVIB-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H14ClN/c1-8(14)11-7-12(11,2)9-3-5-10(13)6-4-9/h3-6,11,14H,7H2,1-2H3/b14-8+.
What are the key properties of 1-[2-(4-chlorophenyl)-2-methylcyclopropyl]ethanimine?
1-[2-(4-chlorophenyl)-2-methylcyclopropyl]ethanimine has a molecular weight of 207.70 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-methylcyclopropyl]ethanimine is sourced from PubChem (CID 141035395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).