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

C16H19FN2 — CID 62121476

IUPAC1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
SMILESCc1cc(C(CN)N(C)c2ccccc2)ccc1F
InChIInChI=1S/C16H19FN2/c1-12-10-13(8-9-15(12)17)16(11-18)19(2)14-6-4-3-5-7-14/h3-10,16H,11,18H2,1-2H3
InChIKeyUEAHAQRLWAQXSR-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.27
Rot. Bonds4

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

1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine (PubChem CID 62121476) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
PubChem CID62121476
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
SMILESCc1cc(C(CN)N(C)c2ccccc2)ccc1F
InChIInChI=1S/C16H19FN2/c1-12-10-13(8-9-15(12)17)16(11-18)19(2)14-6-4-3-5-7-14/h3-10,16H,11,18H2,1-2H3
InChIKeyUEAHAQRLWAQXSR-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62122195
1-(3-bromo-4-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 105404647
1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine
CID 16793153
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine
CID 43327451
N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 62132256
N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 62121848
1-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 62120076
1-(4-fluoro-3-methylphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62121136
N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967659
1-(3-chloro-4-fluorophenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 81148330
N-benzyl-1-(3-fluoro-4-methylphenyl)-N-methylethane-1,2-diamine
CID 63645213
N-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 62121838

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine (CID 62121476) is 1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine is Cc1cc(C(CN)N(C)c2ccccc2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine?
The InChIKey is UEAHAQRLWAQXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-12-10-13(8-9-15(12)17)16(11-18)19(2)14-6-4-3-5-7-14/h3-10,16H,11,18H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine?
1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine has a molecular weight of 258.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine is sourced from PubChem (CID 62121476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).