3-(3-chloro-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine

C13H19ClFN — CID 84802310

IUPAC3-(3-chloro-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine
SMILESCc1ccc(Cl)c(F)c1C(CCN)C(C)C
InChIInChI=1S/C13H19ClFN/c1-8(2)10(6-7-16)12-9(3)4-5-11(14)13(12)15/h4-5,8,10H,6-7,16H2,1-3H3
InChIKeyKNZMGRKYACXQKI-UHFFFAOYSA-N
MW243.75 g/mol
LogP3.88
Rot. Bonds4

About 3-(3-chloro-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine

3-(3-chloro-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine (PubChem CID 84802310) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 3-(3-chloro-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine
PubChem CID84802310
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name3-(3-chloro-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine
SMILESCc1ccc(Cl)c(F)c1C(CCN)C(C)C
InChIInChI=1S/C13H19ClFN/c1-8(2)10(6-7-16)12-9(3)4-5-11(14)13(12)15/h4-5,8,10H,6-7,16H2,1-3H3
InChIKeyKNZMGRKYACXQKI-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine
CID 84814431
(1R)-1-(3,6-dichloro-2-fluorophenyl)propane-1,3-diamine
CID 131149390
2-(1-amino-4-methylpentan-3-yl)-3-fluorobenzene-1,4-diol
CID 84791489
3-(3-chloro-2,6-difluoro-5-methylphenyl)butan-1-amine
CID 117339667
3-(6-chloro-2,3-difluorophenyl)butan-1-amine
CID 130512226
3-(3-chloro-4-fluoro-2-methylphenyl)-4-methylpentan-1-amine
CID 84802311
(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine
CID 130707834
2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine
CID 53403713
(1S)-1-(3,6-dichloro-2-fluorophenyl)-4-methylpentan-1-amine
CID 171235289
1-chloro-2-fluoro-3-(fluoromethyl)-4-methylbenzene
CID 118811534
3-(2-fluorophenyl)-4-methylpentan-1-amine
CID 82076064
(1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine
CID 130713439

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine?
The IUPAC name of 3-(3-chloro-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine (CID 84802310) is 3-(3-chloro-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine.
What is the SMILES notation for 3-(3-chloro-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine?
The canonical SMILES for 3-(3-chloro-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine is Cc1ccc(Cl)c(F)c1C(CCN)C(C)C.
What is the InChIKey of 3-(3-chloro-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine?
The InChIKey is KNZMGRKYACXQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-8(2)10(6-7-16)12-9(3)4-5-11(14)13(12)15/h4-5,8,10H,6-7,16H2,1-3H3.
What are the key properties of 3-(3-chloro-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine?
3-(3-chloro-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine has a molecular weight of 243.75 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 84802310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).