N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine

C15H24FN — CID 64664802

IUPACN-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine
SMILESCc1cc(F)ccc1CC(C)CNC(C)(C)C
InChIInChI=1S/C15H24FN/c1-11(10-17-15(3,4)5)8-13-6-7-14(16)9-12(13)2/h6-7,9,11,17H,8,10H2,1-5H3
InChIKeyYWDWHAYSWDBMFF-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.70
Rot. Bonds4

About N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine

N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine (PubChem CID 64664802) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine
PubChem CID64664802
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine
SMILESCc1cc(F)ccc1CC(C)CNC(C)(C)C
InChIInChI=1S/C15H24FN/c1-11(10-17-15(3,4)5)8-13-6-7-14(16)9-12(13)2/h6-7,9,11,17H,8,10H2,1-5H3
InChIKeyYWDWHAYSWDBMFF-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-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

N-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine
CID 102756073
3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64664397
1-(3-bromo-2-methylpropyl)-4-fluoro-2-methylbenzene
CID 64671392
N-tert-butyl-4-(2,4-difluorophenyl)-2,3-dimethylbutan-1-amine
CID 81015212
5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114349415
4-(2-bromo-4-fluorophenyl)-N-tert-butyl-2,3-dimethylbutan-1-amine
CID 81016299
N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114733542
2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine
CID 63520977
3-(4-bromo-3-chloro-2-fluorophenyl)-N-tert-butyl-2-methylpropan-1-amine
CID 106763465
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 62530089
N-tert-butyl-2-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 83138456

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine (CID 64664802) is N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine is Cc1cc(F)ccc1CC(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine?
The InChIKey is YWDWHAYSWDBMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-11(10-17-15(3,4)5)8-13-6-7-14(16)9-12(13)2/h6-7,9,11,17H,8,10H2,1-5H3.
What are the key properties of N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine?
N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.70, 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-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 64664802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).