4-(5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylbutan-2-amine

C14H21ClFN — CID 103049865

IUPAC4-(5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylbutan-2-amine
SMILESCC(C)NC(C)C(C)Cc1cc(Cl)ccc1F
InChIInChI=1S/C14H21ClFN/c1-9(2)17-11(4)10(3)7-12-8-13(15)5-6-14(12)16/h5-6,8-11,17H,7H2,1-4H3
InChIKeySFNWKNDTDWZIDZ-UHFFFAOYSA-N
MW257.78 g/mol
LogP4.04
Rot. Bonds5

About 4-(5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylbutan-2-amine

4-(5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylbutan-2-amine (PubChem CID 103049865) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is 4-(5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name4-(5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylbutan-2-amine
PubChem CID103049865
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC Name4-(5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylbutan-2-amine
SMILESCC(C)NC(C)C(C)Cc1cc(Cl)ccc1F
InChIInChI=1S/C14H21ClFN/c1-9(2)17-11(4)10(3)7-12-8-13(15)5-6-14(12)16/h5-6,8-11,17H,7H2,1-4H3
InChIKeySFNWKNDTDWZIDZ-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
4-chloro-2-(4-chloro-2-methylpentyl)-1-fluorobenzene
CID 103050578
N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine
CID 82471422
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731
4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 60995995
1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol
CID 103047797
2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine
CID 103052938
4-(5-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 103051801
1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol
CID 103053467
1-(5-chloro-2-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 103053392

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylbutan-2-amine?
The IUPAC name of 4-(5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylbutan-2-amine (CID 103049865) is 4-(5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for 4-(5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylbutan-2-amine?
The canonical SMILES for 4-(5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylbutan-2-amine is CC(C)NC(C)C(C)Cc1cc(Cl)ccc1F.
What is the InChIKey of 4-(5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylbutan-2-amine?
The InChIKey is SFNWKNDTDWZIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-9(2)17-11(4)10(3)7-12-8-13(15)5-6-14(12)16/h5-6,8-11,17H,7H2,1-4H3.
What are the key properties of 4-(5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylbutan-2-amine?
4-(5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylbutan-2-amine has a molecular weight of 257.78 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 103049865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).