N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine

C15H24FN — CID 64663958

IUPACN-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine
SMILESCC(CCc1cccc(F)c1)CNC(C)(C)C
InChIInChI=1S/C15H24FN/c1-12(11-17-15(2,3)4)8-9-13-6-5-7-14(16)10-13/h5-7,10,12,17H,8-9,11H2,1-4H3
InChIKeyCVTQKBJMILCRIX-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.78
Rot. Bonds5

About N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine

N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine (PubChem CID 64663958) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine
PubChem CID64663958
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine
SMILESCC(CCc1cccc(F)c1)CNC(C)(C)C
InChIInChI=1S/C15H24FN/c1-12(11-17-15(2,3)4)8-9-13-6-5-7-14(16)10-13/h5-7,10,12,17H,8-9,11H2,1-4H3
InChIKeyCVTQKBJMILCRIX-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-4-(3-fluorophenyl)-2-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

4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 64666671
N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine
CID 62516409
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79441221
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine
CID 64663973
N-[2-(3-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202786
N-tert-butyl-2-[(3-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62515251
1-N-tert-butyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83042724
2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid
CID 151774149
N-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine
CID 64664799
(2S)-N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenyl]-2-methylpropan-1-amine
CID 177124154
N-tert-butyl-4-(4-chloro-2-fluorophenyl)-2-methylbutan-1-amine
CID 114860063

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine (CID 64663958) is N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine is CC(CCc1cccc(F)c1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine?
The InChIKey is CVTQKBJMILCRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-12(11-17-15(2,3)4)8-9-13-6-5-7-14(16)10-13/h5-7,10,12,17H,8-9,11H2,1-4H3.
What are the key properties of N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine?
N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 64663958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).