N-ethyl-3,3-bis(3-fluorophenyl)propan-1-amine

C17H19F2N — CID 11673510

IUPACN-ethyl-3,3-bis(3-fluorophenyl)propan-1-amine
SMILESCCNCCC(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H19F2N/c1-2-20-10-9-17(13-5-3-7-15(18)11-13)14-6-4-8-16(19)12-14/h3-8,11-12,17,20H,2,9-10H2,1H3
InChIKeyPQIVWLPWFZMTSZ-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.10
Rot. Bonds6

About N-ethyl-3,3-bis(3-fluorophenyl)propan-1-amine

N-ethyl-3,3-bis(3-fluorophenyl)propan-1-amine (PubChem CID 11673510) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is N-ethyl-3,3-bis(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3-bis(3-fluorophenyl)propan-1-amine
PubChem CID11673510
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC NameN-ethyl-3,3-bis(3-fluorophenyl)propan-1-amine
SMILESCCNCCC(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H19F2N/c1-2-20-10-9-17(13-5-3-7-15(18)11-13)14-6-4-8-16(19)12-14/h3-8,11-12,17,20H,2,9-10H2,1H3
InChIKeyPQIVWLPWFZMTSZ-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 4543
Fenfluramine
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Protriptyline
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CID 66265
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CID 441358
Protriptyline Hydrochloride
CID 6603149
Terodiline
CID 23480
Prenylamine
CID 9801
4-Benzylpiperidine
CID 31738
Terodiline Hydrochloride
CID 23479
Phenpromethamine
CID 22276
Diisopromine
CID 22262

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-bis(3-fluorophenyl)propan-1-amine?
The IUPAC name of N-ethyl-3,3-bis(3-fluorophenyl)propan-1-amine (CID 11673510) is N-ethyl-3,3-bis(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3,3-bis(3-fluorophenyl)propan-1-amine?
The canonical SMILES for N-ethyl-3,3-bis(3-fluorophenyl)propan-1-amine is CCNCCC(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-3,3-bis(3-fluorophenyl)propan-1-amine?
The InChIKey is PQIVWLPWFZMTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-2-20-10-9-17(13-5-3-7-15(18)11-13)14-6-4-8-16(19)12-14/h3-8,11-12,17,20H,2,9-10H2,1H3.
What are the key properties of N-ethyl-3,3-bis(3-fluorophenyl)propan-1-amine?
N-ethyl-3,3-bis(3-fluorophenyl)propan-1-amine has a molecular weight of 275.34 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-bis(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 11673510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).