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

C16H19FN2 — CID 63817401

IUPACN-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline
SMILESCC(N)Cc1ccc(N(C)c2cccc(F)c2)cc1
InChIInChI=1S/C16H19FN2/c1-12(18)10-13-6-8-15(9-7-13)19(2)16-5-3-4-14(17)11-16/h3-9,11-12H,10,18H2,1-2H3
InChIKeyPMZVWZNUEBXCPI-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.48
Rot. Bonds4

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

N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline (PubChem CID 63817401) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline
PubChem CID63817401
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline
SMILESCC(N)Cc1ccc(N(C)c2cccc(F)c2)cc1
InChIInChI=1S/C16H19FN2/c1-12(18)10-13-6-8-15(9-7-13)19(2)16-5-3-4-14(17)11-16/h3-9,11-12H,10,18H2,1-2H3
InChIKeyPMZVWZNUEBXCPI-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline
CID 63817579
N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline
CID 63786695
6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine
CID 83122861
4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline
CID 63816152
4-(2-aminopropyl)-N-[4-(2-aminopropyl)phenyl]-N-phenylaniline
CID 170864530
4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline
CID 63817754
1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol
CID 83131802
4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline
CID 63815627
N-[4-(2-aminopropyl)phenyl]-2-methoxy-N-methylaniline
CID 63794199
4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline
CID 113230359
1-(3-fluorophenyl)-1-methylhydrazine
CID 53400268
1-[4-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63802154

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline (CID 63817401) is N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline is CC(N)Cc1ccc(N(C)c2cccc(F)c2)cc1.
What is the InChIKey of N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline?
The InChIKey is PMZVWZNUEBXCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-12(18)10-13-6-8-15(9-7-13)19(2)16-5-3-4-14(17)11-16/h3-9,11-12H,10,18H2,1-2H3.
What are the key properties of N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline?
N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline has a molecular weight of 258.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 63817401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).