N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine

C16H25ClFN — CID 114862692

IUPACN-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(CCNC(C)(C)C)Cc1ccc(Cl)cc1F
InChIInChI=1S/C16H25ClFN/c1-15(2,3)19-9-8-16(4,5)11-12-6-7-13(17)10-14(12)18/h6-7,10,19H,8-9,11H2,1-5H3
InChIKeyIIDRFPDRKBGUIC-UHFFFAOYSA-N
MW285.83 g/mol
LogP4.83
Rot. Bonds5

About N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine

N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine (PubChem CID 114862692) has the molecular formula C16H25ClFN and a molecular weight of 285.83 g/mol. Its IUPAC name is N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine
PubChem CID114862692
Molecular FormulaC16H25ClFN
Molecular Weight285.83 g/mol
Exact Mass285.17
IUPAC NameN-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(CCNC(C)(C)C)Cc1ccc(Cl)cc1F
InChIInChI=1S/C16H25ClFN/c1-15(2,3)19-9-8-16(4,5)11-12-6-7-13(17)10-14(12)18/h6-7,10,19H,8-9,11H2,1-5H3
InChIKeyIIDRFPDRKBGUIC-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.83
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-4-(3-chloro-4-fluorophenyl)-3,3-dimethylbutan-1-amine
CID 103042326
3-(4-chloro-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 114858536
5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 114860071
4-(5-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 103051801
4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene
CID 70931596
1-(4-chloro-2-fluorophenyl)-2,3,3-trimethylbutan-2-ol
CID 114852559
5-(4-bromo-5-chloro-2-fluorophenyl)-N-tert-butyl-3,3-dimethylpentan-1-amine
CID 105400369
4-(3-bromo-2,6-difluorophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine
CID 106273338
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine
CID 65304678
N-tert-butyl-4-(4-chloro-2-fluorophenyl)-2-methylbutan-1-amine
CID 114860063
6-[(4-chloro-2-fluorophenyl)methylamino]-4,4-dimethylhexanoic acid
CID 114850982

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine (CID 114862692) is N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine is CC(C)(CCNC(C)(C)C)Cc1ccc(Cl)cc1F.
What is the InChIKey of N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine?
The InChIKey is IIDRFPDRKBGUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFN/c1-15(2,3)19-9-8-16(4,5)11-12-6-7-13(17)10-14(12)18/h6-7,10,19H,8-9,11H2,1-5H3.
What are the key properties of N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine?
N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine has a molecular weight of 285.83 g/mol, XLogP of 4.83, 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)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 114862692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).