1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine

C11H12ClF2N — CID 117335411

IUPAC1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
SMILESCc1cc(Cl)c(F)c(CC2(N)CC2)c1F
InChIInChI=1S/C11H12ClF2N/c1-6-4-8(12)10(14)7(9(6)13)5-11(15)2-3-11/h4H,2-3,5,15H2,1H3
InChIKeyQRMAKSAVQREKTG-UHFFFAOYSA-N
MW231.67 g/mol
LogP2.96
Rot. Bonds2

About 1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine

1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117335411) has the molecular formula C11H12ClF2N and a molecular weight of 231.67 g/mol. Its IUPAC name is 1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
PubChem CID117335411
Molecular FormulaC11H12ClF2N
Molecular Weight231.67 g/mol
Exact Mass231.06
IUPAC Name1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
SMILESCc1cc(Cl)c(F)c(CC2(N)CC2)c1F
InChIInChI=1S/C11H12ClF2N/c1-6-4-8(12)10(14)7(9(6)13)5-11(15)2-3-11/h4H,2-3,5,15H2,1H3
InChIKeyQRMAKSAVQREKTG-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.67
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol
CID 117339512
1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
CID 117286906
1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol
CID 117315026
1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117304677
1-(5-chloro-2-fluoro-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84783125
2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol
CID 117302399
1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117398401
1-(3-chloro-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117356600
3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine
CID 117307547
2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol
CID 84793301
2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol
CID 117302400
1-[2-(4-chloro-2,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105481535

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine (CID 117335411) is 1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine is Cc1cc(Cl)c(F)c(CC2(N)CC2)c1F.
What is the InChIKey of 1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is QRMAKSAVQREKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N/c1-6-4-8(12)10(14)7(9(6)13)5-11(15)2-3-11/h4H,2-3,5,15H2,1H3.
What are the key properties of 1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine?
1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 231.67 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117335411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).