2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine

C16H17F2N — CID 62316053

IUPAC2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCc1ccccc1CNCCc1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2N/c1-12-4-2-3-5-14(12)11-19-7-6-13-8-15(17)10-16(18)9-13/h2-5,8-10,19H,6-7,11H2,1H3
InChIKeyBVLABDUSQYYHRK-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.61
Rot. Bonds5

About 2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine

2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine (PubChem CID 62316053) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
PubChem CID62316053
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCc1ccccc1CNCCc1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2N/c1-12-4-2-3-5-14(12)11-19-7-6-13-8-15(17)10-16(18)9-13/h2-5,8-10,19H,6-7,11H2,1H3
InChIKeyBVLABDUSQYYHRK-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 39357471
2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol
CID 115905940
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777
2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol
CID 43565959
2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62317287
N-[(4-bromo-2-fluorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910576
4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide
CID 4719674
N-[(2-chloro-3-fluorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 112652160
2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104751434
2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 62316403
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315529

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine (CID 62316053) is 2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine is Cc1ccccc1CNCCc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine?
The InChIKey is BVLABDUSQYYHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-12-4-2-3-5-14(12)11-19-7-6-13-8-15(17)10-16(18)9-13/h2-5,8-10,19H,6-7,11H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine?
2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine has a molecular weight of 261.31 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 62316053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).