1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine

C13H21FN2O — CID 114075612

IUPAC1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
SMILESCOC(C)CNC(CN)c1cc(F)ccc1C
InChIInChI=1S/C13H21FN2O/c1-9-4-5-11(14)6-12(9)13(7-15)16-8-10(2)17-3/h4-6,10,13,16H,7-8,15H2,1-3H3
InChIKeyASUKEBLINYSDII-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.76
Rot. Bonds6

About 1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine

1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine (PubChem CID 114075612) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
PubChem CID114075612
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
SMILESCOC(C)CNC(CN)c1cc(F)ccc1C
InChIInChI=1S/C13H21FN2O/c1-9-4-5-11(14)6-12(9)13(7-15)16-8-10(2)17-3/h4-6,10,13,16H,7-8,15H2,1-3H3
InChIKeyASUKEBLINYSDII-UHFFFAOYSA-N
XLogP1.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697233
N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 115406339
4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol
CID 102696874
1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697102
2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine
CID 112562567
1-(2,4-difluorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912601
1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine
CID 79616557
[1-(5-fluoro-2-methylphenyl)-4-methylpentyl]hydrazine
CID 105207462
1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697079
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62539902
1-(5-fluoro-2-methylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105142446
(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517054

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine (CID 114075612) is 1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine is COC(C)CNC(CN)c1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine?
The InChIKey is ASUKEBLINYSDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-9-4-5-11(14)6-12(9)13(7-15)16-8-10(2)17-3/h4-6,10,13,16H,7-8,15H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine?
1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine has a molecular weight of 240.32 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 114075612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).