(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine

C11H13F2N — CID 130707474

IUPAC(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
SMILESCc1ccc(F)c([C@@H](N)C2CC2)c1F
InChIInChI=1S/C11H13F2N/c1-6-2-5-8(12)9(10(6)13)11(14)7-3-4-7/h2,5,7,11H,3-4,14H2,1H3/t11-/m0/s1
InChIKeyDNIFYACZEHAFJN-NSHDSACASA-N
MW197.23 g/mol
LogP2.68
Rot. Bonds2

About (S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine

(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine (PubChem CID 130707474) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is (S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
PubChem CID130707474
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
SMILESCc1ccc(F)c([C@@H](N)C2CC2)c1F
InChIInChI=1S/C11H13F2N/c1-6-2-5-8(12)9(10(6)13)11(14)7-3-4-7/h2,5,7,11H,3-4,14H2,1H3/t11-/m0/s1
InChIKeyDNIFYACZEHAFJN-NSHDSACASA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 55253707
2-[(R)-amino(cyclopropyl)methyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257306
(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine
CID 171209698
2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol
CID 131448433
(S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171228747
2-[(S)-amino(cyclohexyl)methyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253546
(1S,2R)-2-amino-1-cyclopentyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171264100
(S)-cyclopropyl-(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine
CID 131318018
(2,6-difluoro-3-methylphenyl)-(oxolan-2-yl)methanamine
CID 82822631
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171269778
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine
CID 131561213

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine?
The IUPAC name of (S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine (CID 130707474) is (S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine?
The canonical SMILES for (S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine is Cc1ccc(F)c([C@@H](N)C2CC2)c1F.
What is the InChIKey of (S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine?
The InChIKey is DNIFYACZEHAFJN-NSHDSACASA-N. The full InChI is InChI=1S/C11H13F2N/c1-6-2-5-8(12)9(10(6)13)11(14)7-3-4-7/h2,5,7,11H,3-4,14H2,1H3/t11-/m0/s1.
What are the key properties of (S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine?
(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine has a molecular weight of 197.23 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 130707474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).