4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline

C14H23FN2 — CID 43313954

IUPAC4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
SMILESCCCN(c1ccc(F)cc1CNC)C(C)C
InChIInChI=1S/C14H23FN2/c1-5-8-17(11(2)3)14-7-6-13(15)9-12(14)10-16-4/h6-7,9,11,16H,5,8,10H2,1-4H3
InChIKeyYGSUAPIMVBKAJG-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.17
Rot. Bonds6

About 4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline

4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline (PubChem CID 43313954) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline.

Molecular Properties

Compound Name4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
PubChem CID43313954
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
SMILESCCCN(c1ccc(F)cc1CNC)C(C)C
InChIInChI=1S/C14H23FN2/c1-5-8-17(11(2)3)14-7-6-13(15)9-12(14)10-16-4/h6-7,9,11,16H,5,8,10H2,1-4H3
InChIKeyYGSUAPIMVBKAJG-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 43313953
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 63785632
4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
CID 63551569
4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 79484228
N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54999850
2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82961156
2-chloro-4-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 81149224
4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 61418968
N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine
CID 102995296
N'-[4-fluoro-2-(methylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63698685
2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol
CID 60961049
N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 63551014

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline?
The IUPAC name of 4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline (CID 43313954) is 4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline.
What is the SMILES notation for 4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline?
The canonical SMILES for 4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline is CCCN(c1ccc(F)cc1CNC)C(C)C.
What is the InChIKey of 4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline?
The InChIKey is YGSUAPIMVBKAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-5-8-17(11(2)3)14-7-6-13(15)9-12(14)10-16-4/h6-7,9,11,16H,5,8,10H2,1-4H3.
What are the key properties of 4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline?
4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline has a molecular weight of 238.35 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline is sourced from PubChem (CID 43313954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).