N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine

C11H15FN2 — CID 117242573

IUPACN'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine
SMILESNC(CNC1CC1)c1cccc(F)c1
InChIInChI=1S/C11H15FN2/c12-9-3-1-2-8(6-9)11(13)7-14-10-4-5-10/h1-3,6,10-11,14H,4-5,7,13H2
InChIKeyJIPHSIZAQBMWRR-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.58
Rot. Bonds4

About N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine

N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine (PubChem CID 117242573) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine
PubChem CID117242573
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC NameN'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine
SMILESNC(CNC1CC1)c1cccc(F)c1
InChIInChI=1S/C11H15FN2/c12-9-3-1-2-8(6-9)11(13)7-14-10-4-5-10/h1-3,6,10-11,14H,4-5,7,13H2
InChIKeyJIPHSIZAQBMWRR-UHFFFAOYSA-N
XLogP1.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-amino-2-(cyclopropylamino)ethyl]phenol
CID 117242576
3-[1-amino-2-(cyclobutylamino)ethyl]phenol
CID 117242584
N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine
CID 62106068
1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
CID 106000348
4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937261
N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine
CID 66321628
N-[2-(3-fluorophenyl)nonyl]cyclopropanamine
CID 79440903
(R)-cyclobutyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199154
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79432897
N-[2-(3-fluorophenyl)-4-methylheptyl]cyclopropanamine
CID 79440904
N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine
CID 62458340

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine (CID 117242573) is N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine is NC(CNC1CC1)c1cccc(F)c1.
What is the InChIKey of N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine?
The InChIKey is JIPHSIZAQBMWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c12-9-3-1-2-8(6-9)11(13)7-14-10-4-5-10/h1-3,6,10-11,14H,4-5,7,13H2.
What are the key properties of N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine?
N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine has a molecular weight of 194.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 117242573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).