2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline

C16H19FN2 — CID 112678084

IUPAC2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline
SMILESCCC(N)c1ccccc1N(C)c1cccc(F)c1
InChIInChI=1S/C16H19FN2/c1-3-15(18)14-9-4-5-10-16(14)19(2)13-8-6-7-12(17)11-13/h4-11,15H,3,18H2,1-2H3
InChIKeyRSGKXXADUMEDCP-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.00
Rot. Bonds4

About 2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline

2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline (PubChem CID 112678084) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline
PubChem CID112678084
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline
SMILESCCC(N)c1ccccc1N(C)c1cccc(F)c1
InChIInChI=1S/C16H19FN2/c1-3-15(18)14-9-4-5-10-16(14)19(2)13-8-6-7-12(17)11-13/h4-11,15H,3,18H2,1-2H3
InChIKeyRSGKXXADUMEDCP-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 115995121
(1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol
CID 55184502
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline
CID 63817754
N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline
CID 63817579
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline
CID 78935395
N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline
CID 63817401
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol
CID 103959642
1-(2-fluorophenyl)propan-1-amine
CID 18439474
(1S)-1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]propan-1-ol
CID 103938668

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline?
The IUPAC name of 2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline (CID 112678084) is 2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline?
The canonical SMILES for 2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline is CCC(N)c1ccccc1N(C)c1cccc(F)c1.
What is the InChIKey of 2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline?
The InChIKey is RSGKXXADUMEDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-3-15(18)14-9-4-5-10-16(14)19(2)13-8-6-7-12(17)11-13/h4-11,15H,3,18H2,1-2H3.
What are the key properties of 2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline?
2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline has a molecular weight of 258.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 112678084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).