5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine

C14H21F2N — CID 79733000

IUPAC5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine
SMILESCc1cc(CCC(C)(C)CCN)c(F)cc1F
InChIInChI=1S/C14H21F2N/c1-10-8-11(13(16)9-12(10)15)4-5-14(2,3)6-7-17/h8-9H,4-7,17H2,1-3H3
InChIKeyQJTZYYBVPFPDNT-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.58
Rot. Bonds5

About 5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine

5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine (PubChem CID 79733000) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine
PubChem CID79733000
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine
SMILESCc1cc(CCC(C)(C)CCN)c(F)cc1F
InChIInChI=1S/C14H21F2N/c1-10-8-11(13(16)9-12(10)15)4-5-14(2,3)6-7-17/h8-9H,4-7,17H2,1-3H3
InChIKeyQJTZYYBVPFPDNT-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine
CID 65300561
4-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 81051396
1-[2-(2,4-difluoro-5-methylphenyl)ethyl]-2,3,4-trifluoro-5-methylbenzene
CID 166874468
1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79725175
2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine
CID 175548510
1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine
CID 105464943
4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 116925112
6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 79733100
5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine
CID 79731647
5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine
CID 65305287
5-(4-bromo-5-chloro-2-fluorophenyl)-N-tert-butyl-3,3-dimethylpentan-1-amine
CID 105400369
N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine
CID 115204562

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine?
The IUPAC name of 5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine (CID 79733000) is 5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine is Cc1cc(CCC(C)(C)CCN)c(F)cc1F.
What is the InChIKey of 5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine?
The InChIKey is QJTZYYBVPFPDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-10-8-11(13(16)9-12(10)15)4-5-14(2,3)6-7-17/h8-9H,4-7,17H2,1-3H3.
What are the key properties of 5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine?
5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 79733000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).