1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine

C14H21FN2 — CID 107521321

IUPAC1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCC1CC1CN(C)CC(N)c1cccc(F)c1
InChIInChI=1S/C14H21FN2/c1-10-6-12(10)8-17(2)9-14(16)11-4-3-5-13(15)7-11/h3-5,7,10,12,14H,6,8-9,16H2,1-2H3
InChIKeySUOYTBNYISYSJD-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.41
Rot. Bonds5

About 1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine

1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (PubChem CID 107521321) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
PubChem CID107521321
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCC1CC1CN(C)CC(N)c1cccc(F)c1
InChIInChI=1S/C14H21FN2/c1-10-6-12(10)8-17(2)9-14(16)11-4-3-5-13(15)7-11/h3-5,7,10,12,14H,6,8-9,16H2,1-2H3
InChIKeySUOYTBNYISYSJD-UHFFFAOYSA-N
XLogP2.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 55259017
1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 107521307
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine
CID 63880276
1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol
CID 63877706
1-(3-bromophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63864710
1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 107521878
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine
CID 63859842
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine
CID 55258829
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291322
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62643255
N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 107519652

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (CID 107521321) is 1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is CC1CC1CN(C)CC(N)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The InChIKey is SUOYTBNYISYSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-6-12(10)8-17(2)9-14(16)11-4-3-5-13(15)7-11/h3-5,7,10,12,14H,6,8-9,16H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine has a molecular weight of 236.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 107521321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).