1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine

C11H13ClFN — CID 114488832

IUPAC1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1CC1c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFN/c1-14-6-7-5-9(7)8-3-2-4-10(12)11(8)13/h2-4,7,9,14H,5-6H2,1H3
InChIKeyVNUWSYAAAVZDPN-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.80
Rot. Bonds3

About 1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine

1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine (PubChem CID 114488832) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
PubChem CID114488832
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1CC1c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFN/c1-14-6-7-5-9(7)8-3-2-4-10(12)11(8)13/h2-4,7,9,14H,5-6H2,1H3
InChIKeyVNUWSYAAAVZDPN-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 53275663
1-[2-(5-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 114860003
N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine
CID 94558305
1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558271
1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 102864397
1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558414
1-[2-(4-bromo-3-chloro-2-fluorophenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 106763857
1-[2-(2-chlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine
CID 130679836
1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102864464
1-[(1R,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558377
1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 81029186
1-[4-ethyl-2-(2,3,4-trifluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81031996

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine (CID 114488832) is 1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine is CNCC1CC1c1cccc(Cl)c1F.
What is the InChIKey of 1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine?
The InChIKey is VNUWSYAAAVZDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-14-6-7-5-9(7)8-3-2-4-10(12)11(8)13/h2-4,7,9,14H,5-6H2,1H3.
What are the key properties of 1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine?
1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine has a molecular weight of 213.68 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 114488832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).