N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine

C18H23FN2 — CID 62121848

IUPACN-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1ccc(C)cc1)C(CN)c1ccc(F)c(C)c1
InChIInChI=1S/C18H23FN2/c1-4-21(16-8-5-13(2)6-9-16)18(12-20)15-7-10-17(19)14(3)11-15/h5-11,18H,4,12,20H2,1-3H3
InChIKeyCMDKFWJHQVXBFN-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.97
Rot. Bonds5

About N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine

N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 62121848) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
PubChem CID62121848
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1ccc(C)cc1)C(CN)c1ccc(F)c(C)c1
InChIInChI=1S/C18H23FN2/c1-4-21(16-8-5-13(2)6-9-16)18(12-20)15-7-10-17(19)14(3)11-15/h5-11,18H,4,12,20H2,1-3H3
InChIKeyCMDKFWJHQVXBFN-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3-fluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 81432197
1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 62002195
1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63404268
N-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 62121838
1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63668426
1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 62121476
1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62122195
3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187891
1-(4-fluoro-3-methylphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62121136
1-(4-fluoro-3-methylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62120803
2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine
CID 62001435
N-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
CID 63208552

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine (CID 62121848) is N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine is CCN(c1ccc(C)cc1)C(CN)c1ccc(F)c(C)c1.
What is the InChIKey of N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is CMDKFWJHQVXBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-4-21(16-8-5-13(2)6-9-16)18(12-20)15-7-10-17(19)14(3)11-15/h5-11,18H,4,12,20H2,1-3H3.
What are the key properties of N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 286.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62121848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).