N-tert-butyl-3,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine

C17H26F3N — CID 65303764

IUPACN-tert-butyl-3,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine
SMILESCC(C)(CCNC(C)(C)C)CCc1c(F)cc(F)cc1F
InChIInChI=1S/C17H26F3N/c1-16(2,3)21-9-8-17(4,5)7-6-13-14(19)10-12(18)11-15(13)20/h10-11,21H,6-9H2,1-5H3
InChIKeyUMHGMCZDDKOQEA-UHFFFAOYSA-N
MW301.40 g/mol
LogP4.84
Rot. Bonds6

About N-tert-butyl-3,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine

N-tert-butyl-3,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine (PubChem CID 65303764) has the molecular formula C17H26F3N and a molecular weight of 301.40 g/mol. Its IUPAC name is N-tert-butyl-3,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine
PubChem CID65303764
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC NameN-tert-butyl-3,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine
SMILESCC(C)(CCNC(C)(C)C)CCc1c(F)cc(F)cc1F
InChIInChI=1S/C17H26F3N/c1-16(2,3)21-9-8-17(4,5)7-6-13-14(19)10-12(18)11-15(13)20/h10-11,21H,6-9H2,1-5H3
InChIKeyUMHGMCZDDKOQEA-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
CID 65304714
5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine
CID 65304274
5-(4-bromo-5-chloro-2-fluorophenyl)-N-tert-butyl-3,3-dimethylpentan-1-amine
CID 105400369
N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine
CID 65304678
5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
CID 106880149
N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine
CID 114862692
4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol
CID 66001269
N-tert-butyl-4-(3-chloro-4-fluorophenyl)-3,3-dimethylbutan-1-amine
CID 103042326
4-(3-bromo-2,6-difluorophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine
CID 106273338
N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 81022530
5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine
CID 65300561
N'-tert-butyl-N-(3,4-difluorophenyl)ethane-1,2-diamine
CID 107444543

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine?
The IUPAC name of N-tert-butyl-3,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine (CID 65303764) is N-tert-butyl-3,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-3,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-3,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine is CC(C)(CCNC(C)(C)C)CCc1c(F)cc(F)cc1F.
What is the InChIKey of N-tert-butyl-3,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine?
The InChIKey is UMHGMCZDDKOQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N/c1-16(2,3)21-9-8-17(4,5)7-6-13-14(19)10-12(18)11-15(13)20/h10-11,21H,6-9H2,1-5H3.
What are the key properties of N-tert-butyl-3,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine?
N-tert-butyl-3,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine has a molecular weight of 301.40 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine is sourced from PubChem (CID 65303764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).