N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine

C10H15FN2 — CID 60887762

IUPACN'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine
SMILESCC(NCCN)c1ccc(F)cc1
InChIInChI=1S/C10H15FN2/c1-8(13-7-6-12)9-2-4-10(11)5-3-9/h2-5,8,13H,6-7,12H2,1H3
InChIKeyKTQRNHBHLYKGOE-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.43
Rot. Bonds4

About N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine

N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine (PubChem CID 60887762) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine
PubChem CID60887762
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC NameN'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine
SMILESCC(NCCN)c1ccc(F)cc1
InChIInChI=1S/C10H15FN2/c1-8(13-7-6-12)9-2-4-10(11)5-3-9/h2-5,8,13H,6-7,12H2,1H3
InChIKeyKTQRNHBHLYKGOE-UHFFFAOYSA-N
XLogP1.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2-aminoethylamino)ethyl]phenol
CID 60887563
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine
CID 81347805
N-[1-(4-fluorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43180866
4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 81348060
4-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butanenitrile
CID 81348362
3-[1-(4-fluorophenyl)ethylamino]propanoic acid
CID 43087255
N-[1-(4-fluorophenyl)ethyl]-3-methylbut-3-en-1-amine
CID 114449108
N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43096156
N'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635712
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609
ethyl 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]propanoate
CID 81348224

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine (CID 60887762) is N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine is CC(NCCN)c1ccc(F)cc1.
What is the InChIKey of N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine?
The InChIKey is KTQRNHBHLYKGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-8(13-7-6-12)9-2-4-10(11)5-3-9/h2-5,8,13H,6-7,12H2,1H3.
What are the key properties of N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine?
N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine has a molecular weight of 182.24 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 60887762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).