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

C15H23ClFN — CID 114860063

IUPACN-tert-butyl-4-(4-chloro-2-fluorophenyl)-2-methylbutan-1-amine
SMILESCC(CCc1ccc(Cl)cc1F)CNC(C)(C)C
InChIInChI=1S/C15H23ClFN/c1-11(10-18-15(2,3)4)5-6-12-7-8-13(16)9-14(12)17/h7-9,11,18H,5-6,10H2,1-4H3
InChIKeyCKCXVPFZBZEGLT-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.44
Rot. Bonds5

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

N-tert-butyl-4-(4-chloro-2-fluorophenyl)-2-methylbutan-1-amine (PubChem CID 114860063) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is N-tert-butyl-4-(4-chloro-2-fluorophenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(4-chloro-2-fluorophenyl)-2-methylbutan-1-amine
PubChem CID114860063
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC NameN-tert-butyl-4-(4-chloro-2-fluorophenyl)-2-methylbutan-1-amine
SMILESCC(CCc1ccc(Cl)cc1F)CNC(C)(C)C
InChIInChI=1S/C15H23ClFN/c1-11(10-18-15(2,3)4)5-6-12-7-8-13(16)9-14(12)17/h7-9,11,18H,5-6,10H2,1-4H3
InChIKeyCKCXVPFZBZEGLT-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-chloro-2-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 103050463
N-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine
CID 64664799
3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-2-methylbutan-2-amine
CID 114859428
N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine
CID 64663958
N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine
CID 114862692
4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride
CID 117046792
4-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 114862631
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 64664802
1-(4-bromo-5-methylhexyl)-4-chloro-2-fluorobenzene
CID 114860163
4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 64664987
1-(5-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-ol
CID 103049445

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-chloro-2-fluorophenyl)-2-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-(4-chloro-2-fluorophenyl)-2-methylbutan-1-amine (CID 114860063) is N-tert-butyl-4-(4-chloro-2-fluorophenyl)-2-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(4-chloro-2-fluorophenyl)-2-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(4-chloro-2-fluorophenyl)-2-methylbutan-1-amine is CC(CCc1ccc(Cl)cc1F)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(4-chloro-2-fluorophenyl)-2-methylbutan-1-amine?
The InChIKey is CKCXVPFZBZEGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-11(10-18-15(2,3)4)5-6-12-7-8-13(16)9-14(12)17/h7-9,11,18H,5-6,10H2,1-4H3.
What are the key properties of N-tert-butyl-4-(4-chloro-2-fluorophenyl)-2-methylbutan-1-amine?
N-tert-butyl-4-(4-chloro-2-fluorophenyl)-2-methylbutan-1-amine has a molecular weight of 271.81 g/mol, XLogP of 4.44, 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-(4-chloro-2-fluorophenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 114860063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).