ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine

C13H22FN — CID 170709234

IUPACethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
SMILESCC.CC(C)NC(C)c1cccc(F)c1
InChIInChI=1S/C11H16FN.C2H6/c1-8(2)13-9(3)10-5-4-6-11(12)7-10;1-2/h4-9,13H,1-3H3;1-2H3
InChIKeyAUGXDFFBJQYHRS-UHFFFAOYSA-N
MW211.32 g/mol
LogP3.91
Rot. Bonds3

About ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine

ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine (PubChem CID 170709234) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Nameethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
PubChem CID170709234
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Nameethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
SMILESCC.CC(C)NC(C)c1cccc(F)c1
InChIInChI=1S/C11H16FN.C2H6/c1-8(2)13-9(3)10-5-4-6-11(12)7-10;1-2/h4-9,13H,1-3H3;1-2H3
InChIKeyAUGXDFFBJQYHRS-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 81364871
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43098837
N-[(1S)-1-(3-fluorophenyl)ethyl]but-3-yn-2-amine
CID 104865323
4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol
CID 43205919
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
1-(4-fluorophenyl)-N-[1-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 43685516
N-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine
CID 115704684
N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine
CID 97051252
2-[1-(3-fluorophenyl)ethylamino]propanamide
CID 43400981

Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine?
The IUPAC name of ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine (CID 170709234) is ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine is CC.CC(C)NC(C)c1cccc(F)c1.
What is the InChIKey of ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine?
The InChIKey is AUGXDFFBJQYHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN.C2H6/c1-8(2)13-9(3)10-5-4-6-11(12)7-10;1-2/h4-9,13H,1-3H3;1-2H3.
What are the key properties of ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine?
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine has a molecular weight of 211.32 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 170709234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).