N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine

C12H16ClF2N — CID 102868324

IUPACN-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine
SMILESCC(Cc1ccccc1Cl)NC(C)C(F)F
InChIInChI=1S/C12H16ClF2N/c1-8(16-9(2)12(14)15)7-10-5-3-4-6-11(10)13/h3-6,8-9,12,16H,7H2,1-2H3
InChIKeyLPUJJQHZOHYVEC-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.51
Rot. Bonds5

About N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine

N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine (PubChem CID 102868324) has the molecular formula C12H16ClF2N and a molecular weight of 247.72 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine
PubChem CID102868324
Molecular FormulaC12H16ClF2N
Molecular Weight247.72 g/mol
Exact Mass247.09
IUPAC NameN-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine
SMILESCC(Cc1ccccc1Cl)NC(C)C(F)F
InChIInChI=1S/C12H16ClF2N/c1-8(16-9(2)12(14)15)7-10-5-3-4-6-11(10)13/h3-6,8-9,12,16H,7H2,1-2H3
InChIKeyLPUJJQHZOHYVEC-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 43677542
1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine
CID 43677533
N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine
CID 62964473
1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine
CID 43677459
4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60995305
1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 62089455
2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol
CID 115951107
N-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine
CID 43677543
3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 62914731
1-chloro-2-(2,3-dimethylbutyl)benzene
CID 123440272
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 60780252

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine?
The IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine (CID 102868324) is N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine is CC(Cc1ccccc1Cl)NC(C)C(F)F.
What is the InChIKey of N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine?
The InChIKey is LPUJJQHZOHYVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF2N/c1-8(16-9(2)12(14)15)7-10-5-3-4-6-11(10)13/h3-6,8-9,12,16H,7H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine?
N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine has a molecular weight of 247.72 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine is sourced from PubChem (CID 102868324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).