(3-chloro-4-fluoro-2-methylphenyl)methanamine

C8H9ClFN — CID 84766568

IUPAC(3-chloro-4-fluoro-2-methylphenyl)methanamine
SMILESCc1c(CN)ccc(F)c1Cl
InChIInChI=1S/C8H9ClFN/c1-5-6(4-11)2-3-7(10)8(5)9/h2-3H,4,11H2,1H3
InChIKeyHLJOBENKMHBJSM-UHFFFAOYSA-N
MW173.62 g/mol
LogP2.25
Rot. Bonds1

About (3-chloro-4-fluoro-2-methylphenyl)methanamine

(3-chloro-4-fluoro-2-methylphenyl)methanamine (PubChem CID 84766568) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is (3-chloro-4-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-fluoro-2-methylphenyl)methanamine
PubChem CID84766568
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name(3-chloro-4-fluoro-2-methylphenyl)methanamine
SMILESCc1c(CN)ccc(F)c1Cl
InChIInChI=1S/C8H9ClFN/c1-5-6(4-11)2-3-7(10)8(5)9/h2-3H,4,11H2,1H3
InChIKeyHLJOBENKMHBJSM-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dichloro-4-fluoro-2-methylbenzene
CID 11830014
(2,4-difluoro-3-methylphenyl)methanamine
CID 11469203
2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride
CID 84809280
(3-chloro-2-methyl-4-nitrophenyl)methanamine
CID 130938681
(3-chloro-4-fluoro-2-methylphenyl)phosphane
CID 178005191
(5-fluoro-1-methylnaphthalen-2-yl)methanamine
CID 115057589
3-(3-chloro-4-fluoro-2-methylphenyl)-4-methylpentan-1-amine
CID 84802311
3-amino-2-(3-chloro-4-fluoro-2-methylphenyl)propanoic acid
CID 84794960
3-chloro-1-(difluoromethyl)-4-fluoro-2-methylbenzene
CID 130776741
(2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 117064774
[3-(2-chloro-3-fluoro-6-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117356000
[2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine
CID 54911715

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (3-chloro-4-fluoro-2-methylphenyl)methanamine (CID 84766568) is (3-chloro-4-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (3-chloro-4-fluoro-2-methylphenyl)methanamine is Cc1c(CN)ccc(F)c1Cl.
What is the InChIKey of (3-chloro-4-fluoro-2-methylphenyl)methanamine?
The InChIKey is HLJOBENKMHBJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN/c1-5-6(4-11)2-3-7(10)8(5)9/h2-3H,4,11H2,1H3.
What are the key properties of (3-chloro-4-fluoro-2-methylphenyl)methanamine?
(3-chloro-4-fluoro-2-methylphenyl)methanamine has a molecular weight of 173.62 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 84766568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).