1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine

C18H21F2N — CID 60818688

IUPAC1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C18H21F2N/c1-2-11-21-18(12-14-3-7-16(19)8-4-14)13-15-5-9-17(20)10-6-15/h3-10,18,21H,2,11-13H2,1H3
InChIKeyHTFTWMNHSKSNCJ-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.12
Rot. Bonds7

About 1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine

1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine (PubChem CID 60818688) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
PubChem CID60818688
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C18H21F2N/c1-2-11-21-18(12-14-3-7-16(19)8-4-14)13-15-5-9-17(20)10-6-15/h3-10,18,21H,2,11-13H2,1H3
InChIKeyHTFTWMNHSKSNCJ-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-propylheptan-2-amine
CID 55187752
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 62128223
1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine
CID 63412878
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 65095900
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444
3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896932
1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine
CID 114834921
1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198282
1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 82909863

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine?
The IUPAC name of 1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine (CID 60818688) is 1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine is CCCNC(Cc1ccc(F)cc1)Cc1ccc(F)cc1.
What is the InChIKey of 1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine?
The InChIKey is HTFTWMNHSKSNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-2-11-21-18(12-14-3-7-16(19)8-4-14)13-15-5-9-17(20)10-6-15/h3-10,18,21H,2,11-13H2,1H3.
What are the key properties of 1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine?
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine has a molecular weight of 289.37 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 60818688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).