1,1-bis(3-fluorophenyl)pentan-3-amine

C17H19F2N — CID 22708360

IUPAC1,1-bis(3-fluorophenyl)pentan-3-amine
SMILESCCC(N)CC(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H19F2N/c1-2-16(20)11-17(12-5-3-7-14(18)9-12)13-6-4-8-15(19)10-13/h3-10,16-17H,2,11,20H2,1H3
InChIKeyPDUFHJCMNVKVHM-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.22
Rot. Bonds5

About 1,1-bis(3-fluorophenyl)pentan-3-amine

1,1-bis(3-fluorophenyl)pentan-3-amine (PubChem CID 22708360) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1,1-bis(3-fluorophenyl)pentan-3-amine.

Molecular Properties

Compound Name1,1-bis(3-fluorophenyl)pentan-3-amine
PubChem CID22708360
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1,1-bis(3-fluorophenyl)pentan-3-amine
SMILESCCC(N)CC(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H19F2N/c1-2-16(20)11-17(12-5-3-7-14(18)9-12)13-6-4-8-15(19)10-13/h3-10,16-17H,2,11,20H2,1H3
InChIKeyPDUFHJCMNVKVHM-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol
CID 131021466
(2S)-N-chloro-4,4-bis(3-fluorophenyl)butan-2-amine
CID 89334160
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
4-(3-fluorophenyl)pentan-2-amine
CID 64719405
1-(1-bromopropyl)-3-fluorobenzene
CID 70101936
(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171218667
(1R)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199148
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
1-fluoro-3-(2-methylpentan-3-yl)benzene
CID 20795498
(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131500919
(1R)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131566007

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(3-fluorophenyl)pentan-3-amine?
The IUPAC name of 1,1-bis(3-fluorophenyl)pentan-3-amine (CID 22708360) is 1,1-bis(3-fluorophenyl)pentan-3-amine.
What is the SMILES notation for 1,1-bis(3-fluorophenyl)pentan-3-amine?
The canonical SMILES for 1,1-bis(3-fluorophenyl)pentan-3-amine is CCC(N)CC(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 1,1-bis(3-fluorophenyl)pentan-3-amine?
The InChIKey is PDUFHJCMNVKVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-2-16(20)11-17(12-5-3-7-14(18)9-12)13-6-4-8-15(19)10-13/h3-10,16-17H,2,11,20H2,1H3.
What are the key properties of 1,1-bis(3-fluorophenyl)pentan-3-amine?
1,1-bis(3-fluorophenyl)pentan-3-amine has a molecular weight of 275.34 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(3-fluorophenyl)pentan-3-amine is sourced from PubChem (CID 22708360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).