4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline

C16H18ClFN2 — CID 63369395

IUPAC4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
SMILESC[C@@H](N)c1ccc(N(C)Cc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C16H18ClFN2/c1-11(19)13-5-8-16(15(18)9-13)20(2)10-12-3-6-14(17)7-4-12/h3-9,11H,10,19H2,1-2H3/t11-/m1/s1
InChIKeyHVAUYQJKFKZQGN-LLVKDONJSA-N
MW292.79 g/mol
LogP4.14
Rot. Bonds4

About 4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline

4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline (PubChem CID 63369395) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
PubChem CID63369395
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
SMILESC[C@@H](N)c1ccc(N(C)Cc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C16H18ClFN2/c1-11(19)13-5-8-16(15(18)9-13)20(2)10-12-3-6-14(17)7-4-12/h3-9,11H,10,19H2,1-2H3/t11-/m1/s1
InChIKeyHVAUYQJKFKZQGN-LLVKDONJSA-N
XLogP4.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 78934897
4-[(1S)-1-aminoethyl]-2-bromo-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 63532832
4-[(1R)-1-aminoethyl]-2-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 63369536
4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 63368274
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
CID 63368247
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934917
1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 61412978
4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline
CID 63368307
2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol
CID 78934460
4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline
CID 43188895
4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-2-fluoro-N-methylaniline
CID 54984893
(1R)-1-[4-[(4-bromophenyl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 63370984

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline (CID 63369395) is 4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline is C[C@@H](N)c1ccc(N(C)Cc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline?
The InChIKey is HVAUYQJKFKZQGN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-11(19)13-5-8-16(15(18)9-13)20(2)10-12-3-6-14(17)7-4-12/h3-9,11H,10,19H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline?
4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline has a molecular weight of 292.79 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 63369395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).