N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine

C16H26FN — CID 81022530

IUPACN-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine
SMILESCc1ccc(F)cc1C(C)(C)CCNC(C)(C)C
InChIInChI=1S/C16H26FN/c1-12-7-8-13(17)11-14(12)16(5,6)9-10-18-15(2,3)4/h7-8,11,18H,9-10H2,1-6H3
InChIKeyUZDKDZZKERFBDL-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.19
Rot. Bonds4

About N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine

N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine (PubChem CID 81022530) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine
PubChem CID81022530
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC NameN-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine
SMILESCc1ccc(F)cc1C(C)(C)CCNC(C)(C)C
InChIInChI=1S/C16H26FN/c1-12-7-8-13(17)11-14(12)16(5,6)9-10-18-15(2,3)4/h7-8,11,18H,9-10H2,1-6H3
InChIKeyUZDKDZZKERFBDL-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-fluoro-2-methylphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81035050
4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol
CID 66001269
2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene
CID 143135341
N-tert-butyl-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 107290764
N-tert-butyl-4-(5-fluoro-2-methylphenyl)but-3-en-1-amine
CID 79598780
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol
CID 91089694
3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830832
N-tert-butyl-4-(4-fluoro-2-methylphenyl)but-3-en-1-amine
CID 79598778
3-(4-bromo-3-chloro-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine
CID 106763830
1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol
CID 66036805
4-(5-fluoro-2-methylphenyl)-4-methyl-2-oxopentanoic acid
CID 11379410
N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine
CID 105374927

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine (CID 81022530) is N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine is Cc1ccc(F)cc1C(C)(C)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine?
The InChIKey is UZDKDZZKERFBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-12-7-8-13(17)11-14(12)16(5,6)9-10-18-15(2,3)4/h7-8,11,18H,9-10H2,1-6H3.
What are the key properties of N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine?
N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 81022530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).