N-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine

C16H17ClFN — CID 112652010

IUPACN-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCNCc2cccc(F)c2Cl)c1
InChIInChI=1S/C16H17ClFN/c1-12-4-2-5-13(10-12)8-9-19-11-14-6-3-7-15(18)16(14)17/h2-7,10,19H,8-9,11H2,1H3
InChIKeyFESRYYPTUQBVRW-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.12
Rot. Bonds5

About N-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine

N-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine (PubChem CID 112652010) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
PubChem CID112652010
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC NameN-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCNCc2cccc(F)c2Cl)c1
InChIInChI=1S/C16H17ClFN/c1-12-4-2-5-13(10-12)8-9-19-11-14-6-3-7-15(18)16(14)17/h2-7,10,19H,8-9,11H2,1H3
InChIKeyFESRYYPTUQBVRW-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.12
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

N-[(2-chloro-3-fluorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 112652160
N-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenoxy)ethanamine
CID 115982826
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N-[(2-chloro-3-fluorophenyl)methyl]-3-phenylpropan-1-amine
CID 112651869
N-[(2-bromophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 55062660
2-[[2-(3-methylphenyl)ethylamino]methyl]aniline
CID 66418651
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62314975
2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
CID 79832467
3-chloro-4-[[2-(3-methylphenyl)ethylamino]methyl]benzonitrile
CID 102664430
N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 63002267
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylsulfanylpropan-1-amine
CID 112652069
2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 55062757

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine (CID 112652010) is N-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine is Cc1cccc(CCNCc2cccc(F)c2Cl)c1.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine?
The InChIKey is FESRYYPTUQBVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-12-4-2-5-13(10-12)8-9-19-11-14-6-3-7-15(18)16(14)17/h2-7,10,19H,8-9,11H2,1H3.
What are the key properties of N-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine?
N-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 112652010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).