[1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine

C11H13ClFN — CID 112654232

IUPAC[1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine
SMILESNCC1(Cc2cccc(F)c2Cl)CC1
InChIInChI=1S/C11H13ClFN/c12-10-8(2-1-3-9(10)13)6-11(7-14)4-5-11/h1-3H,4-7,14H2
InChIKeySWLVMUIQDRATQO-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.76
Rot. Bonds3

About [1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine

[1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine (PubChem CID 112654232) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is [1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine
PubChem CID112654232
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name[1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine
SMILESNCC1(Cc2cccc(F)c2Cl)CC1
InChIInChI=1S/C11H13ClFN/c12-10-8(2-1-3-9(10)13)6-11(7-14)4-5-11/h1-3H,4-7,14H2
InChIKeySWLVMUIQDRATQO-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 112654779
[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine
CID 112654253
[1-[(2-fluorophenyl)methyl]cyclopropyl]methanamine
CID 66024201
[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 102858966
[1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65391305
3-(bromomethyl)-3-[(2-chloro-3-fluorophenyl)methyl]oxolane
CID 112654905
3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 112655178
1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 112653239
3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine
CID 115984672
3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol
CID 112653138
1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961208
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine?
The IUPAC name of [1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine (CID 112654232) is [1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine is NCC1(Cc2cccc(F)c2Cl)CC1.
What is the InChIKey of [1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine?
The InChIKey is SWLVMUIQDRATQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-10-8(2-1-3-9(10)13)6-11(7-14)4-5-11/h1-3H,4-7,14H2.
What are the key properties of [1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine?
[1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine has a molecular weight of 213.68 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine is sourced from PubChem (CID 112654232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).