1,2-bis(4-fluoro-2-methylphenyl)ethanamine

C16H17F2N — CID 114348216

IUPAC1,2-bis(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)c1ccc(F)cc1C
InChIInChI=1S/C16H17F2N/c1-10-7-13(17)4-3-12(10)9-16(19)15-6-5-14(18)8-11(15)2/h3-8,16H,9,19H2,1-2H3
InChIKeyZIVWFKLYCWCKPD-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.82
Rot. Bonds3

About 1,2-bis(4-fluoro-2-methylphenyl)ethanamine

1,2-bis(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 114348216) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 1,2-bis(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1,2-bis(4-fluoro-2-methylphenyl)ethanamine
PubChem CID114348216
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name1,2-bis(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)c1ccc(F)cc1C
InChIInChI=1S/C16H17F2N/c1-10-7-13(17)4-3-12(10)9-16(19)15-6-5-14(18)8-11(15)2/h3-8,16H,9,19H2,1-2H3
InChIKeyZIVWFKLYCWCKPD-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-difluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279328
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114906223
1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050988
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279246
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
1-(4-fluoro-2-methylphenyl)-2-phenylethanamine
CID 62790331
1-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylethanamine
CID 62791571
1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 62791857
2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
CID 114347619
2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105050993
5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114349415
(1S)-1-(4-fluoro-2-methylphenyl)butan-1-amine;hydrochloride
CID 171221352

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1,2-bis(4-fluoro-2-methylphenyl)ethanamine (CID 114348216) is 1,2-bis(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1,2-bis(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1,2-bis(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1CC(N)c1ccc(F)cc1C.
What is the InChIKey of 1,2-bis(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is ZIVWFKLYCWCKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-10-7-13(17)4-3-12(10)9-16(19)15-6-5-14(18)8-11(15)2/h3-8,16H,9,19H2,1-2H3.
What are the key properties of 1,2-bis(4-fluoro-2-methylphenyl)ethanamine?
1,2-bis(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 261.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 114348216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).