N-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine

C17H19ClFN — CID 115664143

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(C)NCc2cccc(Cl)c2F)c1
InChIInChI=1S/C17H19ClFN/c1-11-7-8-12(2)15(9-11)13(3)20-10-14-5-4-6-16(18)17(14)19/h4-9,13,20H,10H2,1-3H3
InChIKeyPJQBSQSLPVGMRX-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.95
Rot. Bonds4

About N-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine

N-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine (PubChem CID 115664143) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
PubChem CID115664143
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(C)NCc2cccc(Cl)c2F)c1
InChIInChI=1S/C17H19ClFN/c1-11-7-8-12(2)15(9-11)13(3)20-10-14-5-4-6-16(18)17(14)19/h4-9,13,20H,10H2,1-3H3
InChIKeyPJQBSQSLPVGMRX-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 104930243
(1R)-1-(2-bromophenyl)-N-[(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 104930257
1-(2,5-dimethylphenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62134587
N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 115664149
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 115695829
(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 81377742
N-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 66160523
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61015592
2-(2-chlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327434
1-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 102859822
(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 104930267
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893749

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine (CID 115664143) is N-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(C(C)NCc2cccc(Cl)c2F)c1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine?
The InChIKey is PJQBSQSLPVGMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-11-7-8-12(2)15(9-11)13(3)20-10-14-5-4-6-16(18)17(14)19/h4-9,13,20H,10H2,1-3H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine?
N-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine has a molecular weight of 291.80 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 115664143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).