N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline

C16H18FN — CID 43194139

IUPACN-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline
SMILESCc1ccc(NC(C)c2ccccc2F)cc1C
InChIInChI=1S/C16H18FN/c1-11-8-9-14(10-12(11)2)18-13(3)15-6-4-5-7-16(15)17/h4-10,13,18H,1-3H3
InChIKeyQUFPFUXSXMUWLH-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.62
Rot. Bonds3

About N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline

N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline (PubChem CID 43194139) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline
PubChem CID43194139
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline
SMILESCc1ccc(NC(C)c2ccccc2F)cc1C
InChIInChI=1S/C16H18FN/c1-11-8-9-14(10-12(11)2)18-13(3)15-6-4-5-7-16(15)17/h4-10,13,18H,1-3H3
InChIKeyQUFPFUXSXMUWLH-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43101633
N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline
CID 60970463
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline
CID 43193860
4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine
CID 63676241
N-[1-(2-fluorophenyl)ethyl]quinoxalin-6-amine
CID 60943140
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746480
[3-[1-(2-fluorophenyl)ethylamino]phenyl]methanol
CID 43715146
3-chloro-N-[1-(2-fluorophenyl)ethyl]-4-propan-2-yloxyaniline
CID 43727176
6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
CID 114051650

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline (CID 43194139) is N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline is Cc1ccc(NC(C)c2ccccc2F)cc1C.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline?
The InChIKey is QUFPFUXSXMUWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-8-9-14(10-12(11)2)18-13(3)15-6-4-5-7-16(15)17/h4-10,13,18H,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline?
N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline has a molecular weight of 243.33 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline is sourced from PubChem (CID 43194139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).