1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine

C11H13Cl2N — CID 79333265

IUPAC1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine
SMILESCC1CC1(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2N/c1-7-5-11(7,14)6-8-2-3-9(12)4-10(8)13/h2-4,7H,5-6,14H2,1H3
InChIKeyPQSXDOWOWMMGKX-UHFFFAOYSA-N
MW230.14 g/mol
LogP3.27
Rot. Bonds2

About 1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine

1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine (PubChem CID 79333265) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine
PubChem CID79333265
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine
SMILESCC1CC1(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2N/c1-7-5-11(7,14)6-8-2-3-9(12)4-10(8)13/h2-4,7H,5-6,14H2,1H3
InChIKeyPQSXDOWOWMMGKX-UHFFFAOYSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64753224
1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 106866820
2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63408216
1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 65154379
1-[(2,4-dichlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961094
1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55186388
4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63407778
3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine
CID 65020052
1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80705450
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 70921617
3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol
CID 164649438

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine (CID 79333265) is 1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine is CC1CC1(N)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine?
The InChIKey is PQSXDOWOWMMGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c1-7-5-11(7,14)6-8-2-3-9(12)4-10(8)13/h2-4,7H,5-6,14H2,1H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine?
1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine has a molecular weight of 230.14 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 1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 79333265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).