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

C16H19ClN2 — CID 78934580

IUPAC2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline
SMILESC[C@@H](N)c1ccccc1N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-12(18)15-5-3-4-6-16(15)19(2)11-13-7-9-14(17)10-8-13/h3-10,12H,11,18H2,1-2H3/t12-/m1/s1
InChIKeyXJHZJBFYVIZZON-GFCCVEGCSA-N
MW274.80 g/mol
LogP4.00
Rot. Bonds4

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

2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline (PubChem CID 78934580) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline
PubChem CID78934580
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline
SMILESC[C@@H](N)c1ccccc1N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-12(18)15-5-3-4-6-16(15)19(2)11-13-7-9-14(17)10-8-13/h3-10,12H,11,18H2,1-2H3/t12-/m1/s1
InChIKeyXJHZJBFYVIZZON-GFCCVEGCSA-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 ≤ 500274.80
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563493
4-[(1S)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 78934897
4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63369395
2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 78934710
2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline
CID 43295960
2-(chloromethyl)-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 63540989
2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 61412975
2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 63369359
4-[(1S)-1-aminoethyl]-2-bromo-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 63532832
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989
2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline
CID 78936089
1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935252

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline (CID 78934580) is 2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline is C[C@@H](N)c1ccccc1N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline?
The InChIKey is XJHZJBFYVIZZON-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-12(18)15-5-3-4-6-16(15)19(2)11-13-7-9-14(17)10-8-13/h3-10,12H,11,18H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline?
2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline has a molecular weight of 274.80 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-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 78934580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).