3-(3,5-difluoro-2-methylphenyl)butan-1-amine

C11H15F2N — CID 117288664

IUPAC3-(3,5-difluoro-2-methylphenyl)butan-1-amine
SMILESCc1c(F)cc(F)cc1C(C)CCN
InChIInChI=1S/C11H15F2N/c1-7(3-4-14)10-5-9(12)6-11(13)8(10)2/h5-7H,3-4,14H2,1-2H3
InChIKeyHYKLOASPNMQFJN-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.73
Rot. Bonds3

About 3-(3,5-difluoro-2-methylphenyl)butan-1-amine

3-(3,5-difluoro-2-methylphenyl)butan-1-amine (PubChem CID 117288664) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 3-(3,5-difluoro-2-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(3,5-difluoro-2-methylphenyl)butan-1-amine
PubChem CID117288664
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name3-(3,5-difluoro-2-methylphenyl)butan-1-amine
SMILESCc1c(F)cc(F)cc1C(C)CCN
InChIInChI=1S/C11H15F2N/c1-7(3-4-14)10-5-9(12)6-11(13)8(10)2/h5-7H,3-4,14H2,1-2H3
InChIKeyHYKLOASPNMQFJN-UHFFFAOYSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine
CID 84773685
2-(2,3,5-trifluorophenyl)propan-1-amine
CID 115113253
3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117320871
3-(3-chloro-2,5-dimethylphenyl)butan-1-amine
CID 84782147
1-(2,3,5-trifluorophenyl)propane-1,3-diamine
CID 130900225
3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine
CID 84784490
(1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine
CID 55291930
1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine
CID 55283662
3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine
CID 117327295
3-(4-bromo-2-fluorophenyl)butan-1-amine
CID 117367048
1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene
CID 66729776
3-[2-(difluoromethyl)-5-methylphenyl]butan-1-amine
CID 117304369

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-2-methylphenyl)butan-1-amine?
The IUPAC name of 3-(3,5-difluoro-2-methylphenyl)butan-1-amine (CID 117288664) is 3-(3,5-difluoro-2-methylphenyl)butan-1-amine.
What is the SMILES notation for 3-(3,5-difluoro-2-methylphenyl)butan-1-amine?
The canonical SMILES for 3-(3,5-difluoro-2-methylphenyl)butan-1-amine is Cc1c(F)cc(F)cc1C(C)CCN.
What is the InChIKey of 3-(3,5-difluoro-2-methylphenyl)butan-1-amine?
The InChIKey is HYKLOASPNMQFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-7(3-4-14)10-5-9(12)6-11(13)8(10)2/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 3-(3,5-difluoro-2-methylphenyl)butan-1-amine?
3-(3,5-difluoro-2-methylphenyl)butan-1-amine has a molecular weight of 199.24 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-2-methylphenyl)butan-1-amine is sourced from PubChem (CID 117288664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).