(2S)-5-(2,3-difluoro-5-methylphenyl)pentan-2-amine

C12H17F2N — CID 90212679

IUPAC(2S)-5-(2,3-difluoro-5-methylphenyl)pentan-2-amine
SMILESCc1cc(F)c(F)c(CCC[C@H](C)N)c1
InChIInChI=1S/C12H17F2N/c1-8-6-10(5-3-4-9(2)15)12(14)11(13)7-8/h6-7,9H,3-5,15H2,1-2H3/t9-/m0/s1
InChIKeyCINMQNCITQKTNH-VIFPVBQESA-N
MW213.27 g/mol
LogP2.94
Rot. Bonds4

About (2S)-5-(2,3-difluoro-5-methylphenyl)pentan-2-amine

(2S)-5-(2,3-difluoro-5-methylphenyl)pentan-2-amine (PubChem CID 90212679) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is (2S)-5-(2,3-difluoro-5-methylphenyl)pentan-2-amine.

Molecular Properties

Compound Name(2S)-5-(2,3-difluoro-5-methylphenyl)pentan-2-amine
PubChem CID90212679
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name(2S)-5-(2,3-difluoro-5-methylphenyl)pentan-2-amine
SMILESCc1cc(F)c(F)c(CCC[C@H](C)N)c1
InChIInChI=1S/C12H17F2N/c1-8-6-10(5-3-4-9(2)15)12(14)11(13)7-8/h6-7,9H,3-5,15H2,1-2H3/t9-/m0/s1
InChIKeyCINMQNCITQKTNH-VIFPVBQESA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,3-difluoro-5-methylphenyl)butan-1-amine
CID 117288646
(2S)-5-(3-chloro-2,4-difluoro-5-methylphenyl)pentan-2-amine
CID 90212930
5-(4-fluoro-2-methylphenyl)pentan-2-amine
CID 114349377
5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64505046
5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine
CID 123273129
5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine
CID 83921907
(2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine
CID 131289439
4-[2,3-difluoro-5-(1-fluoroethyl)phenyl]butan-1-amine
CID 117334201
(2R)-4-(2,3-difluorophenyl)butan-2-amine
CID 93318671
5-(3-methylphenyl)pentan-2-amine
CID 64502928
5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine
CID 83937016
6-amino-1-(2,3-difluorophenyl)heptan-2-one
CID 116610280

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(2,3-difluoro-5-methylphenyl)pentan-2-amine?
The IUPAC name of (2S)-5-(2,3-difluoro-5-methylphenyl)pentan-2-amine (CID 90212679) is (2S)-5-(2,3-difluoro-5-methylphenyl)pentan-2-amine.
What is the SMILES notation for (2S)-5-(2,3-difluoro-5-methylphenyl)pentan-2-amine?
The canonical SMILES for (2S)-5-(2,3-difluoro-5-methylphenyl)pentan-2-amine is Cc1cc(F)c(F)c(CCC[C@H](C)N)c1.
What is the InChIKey of (2S)-5-(2,3-difluoro-5-methylphenyl)pentan-2-amine?
The InChIKey is CINMQNCITQKTNH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17F2N/c1-8-6-10(5-3-4-9(2)15)12(14)11(13)7-8/h6-7,9H,3-5,15H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-5-(2,3-difluoro-5-methylphenyl)pentan-2-amine?
(2S)-5-(2,3-difluoro-5-methylphenyl)pentan-2-amine has a molecular weight of 213.27 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(2,3-difluoro-5-methylphenyl)pentan-2-amine is sourced from PubChem (CID 90212679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).