N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine

C18H21F2N — CID 107515358

IUPACN-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1CC)c1ccc(C)c(F)c1F
InChIInChI=1S/C18H21F2N/c1-4-13-8-6-7-9-14(13)18(21-5-2)15-11-10-12(3)16(19)17(15)20/h6-11,18,21H,4-5H2,1-3H3
InChIKeyIXUIBPKJAMFLMT-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.53
Rot. Bonds5

About N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine

N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine (PubChem CID 107515358) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine
PubChem CID107515358
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1CC)c1ccc(C)c(F)c1F
InChIInChI=1S/C18H21F2N/c1-4-13-8-6-7-9-14(13)18(21-5-2)15-11-10-12(3)16(19)17(15)20/h6-11,18,21H,4-5H2,1-3H3
InChIKeyIXUIBPKJAMFLMT-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 107515485
N-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852479
N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine
CID 105396813
N-[(2,3-difluoro-4-methylphenyl)-(2,6-dimethyl-3-pyridinyl)methyl]ethanamine
CID 107515330
N-[(2-bromophenyl)-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine
CID 107513248
N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine
CID 107515352
N-[(2,3-difluoro-4-methylphenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 107515354
1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine
CID 107513182
N-[(2,3-difluoro-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 107515906
1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 107513135
N-[(3-ethyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 82732775
N-ethyl-1-(2-ethylphenyl)ethanamine
CID 115781037

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine (CID 107515358) is N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine is CCNC(c1ccccc1CC)c1ccc(C)c(F)c1F.
What is the InChIKey of N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine?
The InChIKey is IXUIBPKJAMFLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-4-13-8-6-7-9-14(13)18(21-5-2)15-11-10-12(3)16(19)17(15)20/h6-11,18,21H,4-5H2,1-3H3.
What are the key properties of N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine?
N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine has a molecular weight of 289.37 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 107515358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).