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

C16H19FN2 — CID 65376751

IUPAC1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(C(CN)Nc2ccccc2C)ccc1F
InChIInChI=1S/C16H19FN2/c1-11-5-3-4-6-15(11)19-16(10-18)13-7-8-14(17)12(2)9-13/h3-9,16,19H,10,18H2,1-2H3
InChIKeyJTCPPZOMRQKKGI-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.55
Rot. Bonds4

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

1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 65376751) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine
PubChem CID65376751
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(C(CN)Nc2ccccc2C)ccc1F
InChIInChI=1S/C16H19FN2/c1-11-5-3-4-6-15(11)19-16(10-18)13-7-8-14(17)12(2)9-13/h3-9,16,19H,10,18H2,1-2H3
InChIKeyJTCPPZOMRQKKGI-UHFFFAOYSA-N
XLogP3.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 65384259
1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine
CID 65383419
1-(2,3-difluorophenyl)-N-(2-methylphenyl)ethane-1,2-diamine
CID 65378631
N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 104721816
N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65378148
1-(4-fluoro-3-methylphenyl)-2-(2-methylanilino)ethanol
CID 82121205
1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377943
N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 43106862
2-(4-chlorophenyl)-2-(2-methylanilino)ethanol
CID 61045329
2-(3-fluorophenyl)-2-(2-methylanilino)ethanol
CID 61047365
1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 83230125
N-[1-(4-fluoro-3-methylphenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63413503

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine (CID 65376751) is 1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine is Cc1cc(C(CN)Nc2ccccc2C)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is JTCPPZOMRQKKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-11-5-3-4-6-15(11)19-16(10-18)13-7-8-14(17)12(2)9-13/h3-9,16,19H,10,18H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine?
1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 258.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65376751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).