4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline

C15H25FN2 — CID 78935421

IUPAC4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
SMILESCC(C)CC(C)N(C)c1ccc([C@@H](C)N)cc1F
InChIInChI=1S/C15H25FN2/c1-10(2)8-11(3)18(5)15-7-6-13(12(4)17)9-14(15)16/h6-7,9-12H,8,17H2,1-5H3/t11?,12-/m1/s1
InChIKeyVHHVNXZJDBNKPX-PIJUOVFKSA-N
MW252.38 g/mol
LogP3.72
Rot. Bonds5

About 4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline

4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline (PubChem CID 78935421) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
PubChem CID78935421
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
SMILESCC(C)CC(C)N(C)c1ccc([C@@H](C)N)cc1F
InChIInChI=1S/C15H25FN2/c1-10(2)8-11(3)18(5)15-7-6-13(12(4)17)9-14(15)16/h6-7,9-12H,8,17H2,1-5H3/t11?,12-/m1/s1
InChIKeyVHHVNXZJDBNKPX-PIJUOVFKSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-aminoethyl]-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 55188888
4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 78935650
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
CID 63368247
4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline
CID 43188895
4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline
CID 43265907
4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 63368969
2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol
CID 78934460
4-[(1S)-1-aminoethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline
CID 55188895
4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63369395
4-[(1S)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 78934897
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79477852
4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline
CID 62908844

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline (CID 78935421) is 4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline is CC(C)CC(C)N(C)c1ccc([C@@H](C)N)cc1F.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline?
The InChIKey is VHHVNXZJDBNKPX-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H25FN2/c1-10(2)8-11(3)18(5)15-7-6-13(12(4)17)9-14(15)16/h6-7,9-12H,8,17H2,1-5H3/t11?,12-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline?
4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline has a molecular weight of 252.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline is sourced from PubChem (CID 78935421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).