3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine

C18H21ClFN — CID 79434390

IUPAC3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C18H21ClFN/c1-13(2)21-12-15(17-5-3-4-6-18(17)20)11-14-7-9-16(19)10-8-14/h3-10,13,15,21H,11-12H2,1-2H3
InChIKeyOJYCAZBSNGMTPP-UHFFFAOYSA-N
MW305.82 g/mol
LogP4.80
Rot. Bonds6

About 3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine

3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 79434390) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
PubChem CID79434390
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C18H21ClFN/c1-13(2)21-12-15(17-5-3-4-6-18(17)20)11-14-7-9-16(19)10-8-14/h3-10,13,15,21H,11-12H2,1-2H3
InChIKeyOJYCAZBSNGMTPP-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.82
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 79436850
2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine
CID 79439686
1-(4-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-2-amine
CID 43677712
N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine
CID 79438873
5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 79434387
2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 79439524
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43100538
2-(2-fluorophenyl)-N-propan-2-yl-4-propylsulfonylbutan-1-amine
CID 106730224
2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529324
2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
CID 106323200
3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 103041125
2-[(4-chlorophenyl)methyl]-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine
CID 62515746

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine (CID 79434390) is 3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1ccc(Cl)cc1)c1ccccc1F.
What is the InChIKey of 3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is OJYCAZBSNGMTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-13(2)21-12-15(17-5-3-4-6-18(17)20)11-14-7-9-16(19)10-8-14/h3-10,13,15,21H,11-12H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine?
3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 305.82 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79434390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).