(S)-cyclopropyl-(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine

C11H11F4N — CID 131318018

IUPAC(S)-cyclopropyl-(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine
SMILESCc1c(F)c(F)c([C@@H](N)C2CC2)c(F)c1F
InChIInChI=1S/C11H11F4N/c1-4-7(12)9(14)6(10(15)8(4)13)11(16)5-2-3-5/h5,11H,2-3,16H2,1H3/t11-/m0/s1
InChIKeyMOCZPASFFRMNMG-NSHDSACASA-N
MW233.21 g/mol
LogP2.96
Rot. Bonds2

About (S)-cyclopropyl-(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine

(S)-cyclopropyl-(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine (PubChem CID 131318018) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is (S)-cyclopropyl-(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclopropyl-(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine
PubChem CID131318018
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name(S)-cyclopropyl-(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine
SMILESCc1c(F)c(F)c([C@@H](N)C2CC2)c(F)c1F
InChIInChI=1S/C11H11F4N/c1-4-7(12)9(14)6(10(15)8(4)13)11(16)5-2-3-5/h5,11H,2-3,16H2,1H3/t11-/m0/s1
InChIKeyMOCZPASFFRMNMG-NSHDSACASA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (S)-cyclopropyl-(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 55253707
(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 130707474
(S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine
CID 171230086
(S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171228747
2-[(R)-amino(cyclopropyl)methyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257306
cyclopentyl-(2,3,5,6-tetramethylphenyl)methanamine
CID 43110265
2-[(S)-amino(cyclopropyl)methyl]-5-methylbenzene-1,3-diol
CID 130727329
cyclopropyl-(2,5-dichloro-3,6-difluorophenyl)methanamine
CID 165352725
(S)-(4-chloro-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 171230540
(S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 171226288
(1S,2R)-2-amino-1-cyclopropyl-2-(2,3,4,5,6-pentafluorophenyl)ethanol;hydrochloride
CID 171160472
2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol
CID 130839880

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine?
The IUPAC name of (S)-cyclopropyl-(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine (CID 131318018) is (S)-cyclopropyl-(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (S)-cyclopropyl-(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine?
The canonical SMILES for (S)-cyclopropyl-(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine is Cc1c(F)c(F)c([C@@H](N)C2CC2)c(F)c1F.
What is the InChIKey of (S)-cyclopropyl-(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine?
The InChIKey is MOCZPASFFRMNMG-NSHDSACASA-N. The full InChI is InChI=1S/C11H11F4N/c1-4-7(12)9(14)6(10(15)8(4)13)11(16)5-2-3-5/h5,11H,2-3,16H2,1H3/t11-/m0/s1.
What are the key properties of (S)-cyclopropyl-(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine?
(S)-cyclopropyl-(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine has a molecular weight of 233.21 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 (S)-cyclopropyl-(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 131318018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).