N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine

C14H21ClFN — CID 82806549

IUPACN-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine
SMILESCC(C)(C)NCC(C)(C)c1cccc(Cl)c1F
InChIInChI=1S/C14H21ClFN/c1-13(2,3)17-9-14(4,5)10-7-6-8-11(15)12(10)16/h6-8,17H,9H2,1-5H3
InChIKeyVCWSLLOSXCDCIF-UHFFFAOYSA-N
MW257.78 g/mol
LogP4.14
Rot. Bonds3

About N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine

N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 82806549) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine
PubChem CID82806549
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC NameN-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine
SMILESCC(C)(C)NCC(C)(C)c1cccc(Cl)c1F
InChIInChI=1S/C14H21ClFN/c1-13(2,3)17-9-14(4,5)10-7-6-8-11(15)12(10)16/h6-8,17H,9H2,1-5H3
InChIKeyVCWSLLOSXCDCIF-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 82805898
N-tert-butyl-2-(2,6-dichlorophenyl)-2-methylpropan-1-amine
CID 55195552
N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine
CID 116690237
4-[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]butanoic acid
CID 122010326
N-tert-butyl-2-[(3-chloro-2-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102859330
N-tert-butyl-2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpentan-1-amine
CID 102858809
1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol
CID 62773407
4-[[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]benzamide
CID 166218718
1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene
CID 175127177
2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid
CID 171559889
1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol
CID 66038942
N-[[1-(3-chloro-2-fluorophenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-2-amine
CID 82806113

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine (CID 82806549) is N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine is CC(C)(C)NCC(C)(C)c1cccc(Cl)c1F.
What is the InChIKey of N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is VCWSLLOSXCDCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-13(2,3)17-9-14(4,5)10-7-6-8-11(15)12(10)16/h6-8,17H,9H2,1-5H3.
What are the key properties of N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine?
N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 257.78 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 82806549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).