3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine

C17H19F2N — CID 22708359

IUPAC3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)C(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H19F2N/c1-12(11-20-2)17(13-5-3-7-15(18)9-13)14-6-4-8-16(19)10-14/h3-10,12,17,20H,11H2,1-2H3
InChIKeyPWAGUZJFUDFXDU-UHFFFAOYSA-N
MW275.34 g/mol
LogP3.95
Rot. Bonds5

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

3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine (PubChem CID 22708359) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine
PubChem CID22708359
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)C(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H19F2N/c1-12(11-20-2)17(13-5-3-7-15(18)9-13)14-6-4-8-16(19)10-14/h3-10,12,17,20H,11H2,1-2H3
InChIKeyPWAGUZJFUDFXDU-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 79446365
N-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine
CID 20642773
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81365967
2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62107675
1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950529
3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440300
N-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 80605462
1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116960290
3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440147
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
3-(3-fluorophenyl)-N-methylpentan-2-amine
CID 114873130

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine (CID 22708359) is 3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine is CNCC(C)C(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine?
The InChIKey is PWAGUZJFUDFXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-12(11-20-2)17(13-5-3-7-15(18)9-13)14-6-4-8-16(19)10-14/h3-10,12,17,20H,11H2,1-2H3.
What are the key properties of 3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine?
3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine has a molecular weight of 275.34 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 22708359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).