1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine

C15H25FN2O — CID 82949339

IUPAC1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
SMILESCOCCN(C(C)C)C(CN)c1ccc(F)cc1C
InChIInChI=1S/C15H25FN2O/c1-11(2)18(7-8-19-4)15(10-17)14-6-5-13(16)9-12(14)3/h5-6,9,11,15H,7-8,10,17H2,1-4H3
InChIKeyNSJUGEMAMUHWSA-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.49
Rot. Bonds7

About 1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine

1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 82949339) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID82949339
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
SMILESCOCCN(C(C)C)C(CN)c1ccc(F)cc1C
InChIInChI=1S/C15H25FN2O/c1-11(2)18(7-8-19-4)15(10-17)14-6-5-13(16)9-12(14)3/h5-6,9,11,15H,7-8,10,17H2,1-4H3
InChIKeyNSJUGEMAMUHWSA-UHFFFAOYSA-N
XLogP2.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 62136494
1-(2,3-dimethylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82949237
1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948769
1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948577
N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 82948289
N-ethyl-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62134123
N-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62134640
1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82947962
1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948358
1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948279
1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 62135493
1-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948862

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine (CID 82949339) is 1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine is COCCN(C(C)C)C(CN)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is NSJUGEMAMUHWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-11(2)18(7-8-19-4)15(10-17)14-6-5-13(16)9-12(14)3/h5-6,9,11,15H,7-8,10,17H2,1-4H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 268.38 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 82949339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).