N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline

C15H17FN2 — CID 63786695

IUPACN-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline
SMILESCN(c1ccc(CCN)cc1)c1cccc(F)c1
InChIInChI=1S/C15H17FN2/c1-18(15-4-2-3-13(16)11-15)14-7-5-12(6-8-14)9-10-17/h2-8,11H,9-10,17H2,1H3
InChIKeyUELYCCSJDYJLGO-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.09
Rot. Bonds4

About N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline

N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline (PubChem CID 63786695) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline
PubChem CID63786695
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC NameN-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline
SMILESCN(c1ccc(CCN)cc1)c1cccc(F)c1
InChIInChI=1S/C15H17FN2/c1-18(15-4-2-3-13(16)11-15)14-7-5-12(6-8-14)9-10-17/h2-8,11H,9-10,17H2,1H3
InChIKeyUELYCCSJDYJLGO-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline
CID 63817401
N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline
CID 63817579
4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline
CID 113230359
4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline
CID 63786177
4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline
CID 63787025
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline
CID 117041619
N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline
CID 117041608
4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline
CID 115366816
1-(3-fluorophenyl)-1-methylhydrazine
CID 53400268
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline
CID 117041691
N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline
CID 117041612

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline (CID 63786695) is N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline is CN(c1ccc(CCN)cc1)c1cccc(F)c1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline?
The InChIKey is UELYCCSJDYJLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-18(15-4-2-3-13(16)11-15)14-7-5-12(6-8-14)9-10-17/h2-8,11H,9-10,17H2,1H3.
What are the key properties of N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline?
N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline has a molecular weight of 244.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 63786695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).