1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine

C18H23FN2 — CID 62135312

IUPAC1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccccc1CN(C)C(CN)c1ccc(F)cc1C
InChIInChI=1S/C18H23FN2/c1-13-6-4-5-7-15(13)12-21(3)18(11-20)17-9-8-16(19)10-14(17)2/h4-10,18H,11-12,20H2,1-3H3
InChIKeyGTAIYXUPUOMMLF-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.57
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine

1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 62135312) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID62135312
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccccc1CN(C)C(CN)c1ccc(F)cc1C
InChIInChI=1S/C18H23FN2/c1-13-6-4-5-7-15(13)12-21(3)18(11-20)17-9-8-16(19)10-14(17)2/h4-10,18H,11-12,20H2,1-3H3
InChIKeyGTAIYXUPUOMMLF-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine
CID 62135824
(2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 165410235
N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 61416089
1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62134637
1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 114842940
1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 62136494
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 61416802
N-ethyl-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62134123
1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 62135493
1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 61426435
N-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62134640
N-methyl-N-[(2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 61411834

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine (CID 62135312) is 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine is Cc1ccccc1CN(C)C(CN)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is GTAIYXUPUOMMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-13-6-4-5-7-15(13)12-21(3)18(11-20)17-9-8-16(19)10-14(17)2/h4-10,18H,11-12,20H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine?
1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 286.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62135312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).