N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine

C16H17ClFN — CID 43489376

IUPACN-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFN/c1-3-19-16(12-9-7-11(2)8-10-12)15-13(17)5-4-6-14(15)18/h4-10,16,19H,3H2,1-2H3
InChIKeyLHNDQQDZRQIFMV-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.49
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine

N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine (PubChem CID 43489376) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine
PubChem CID43489376
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFN/c1-3-19-16(12-9-7-11(2)8-10-12)15-13(17)5-4-6-14(15)18/h4-10,16,19H,3H2,1-2H3
InChIKeyLHNDQQDZRQIFMV-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796556
N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine
CID 79747189
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488909
N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63501905
N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 79522408
N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81155515
N-[(2-chloro-6-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61331379
N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 64714724
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038137
N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492874
N-[(4-chloro-2,5-difluorophenyl)-(4-methylphenyl)methyl]ethanamine
CID 82782197
1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066046

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine (CID 43489376) is N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1)c1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine?
The InChIKey is LHNDQQDZRQIFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-3-19-16(12-9-7-11(2)8-10-12)15-13(17)5-4-6-14(15)18/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine?
N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43489376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).