4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline

C16H19ClN2 — CID 63368307

IUPAC4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline
SMILESC[C@@H](N)c1ccc(N(C)Cc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H19ClN2/c1-12(18)14-8-9-16(15(17)10-14)19(2)11-13-6-4-3-5-7-13/h3-10,12H,11,18H2,1-2H3/t12-/m1/s1
InChIKeyKNOGYATZCZQJBG-GFCCVEGCSA-N
MW274.80 g/mol
LogP4.00
Rot. Bonds4

About 4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline

4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline (PubChem CID 63368307) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline
PubChem CID63368307
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline
SMILESC[C@@H](N)c1ccc(N(C)Cc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H19ClN2/c1-12(18)14-8-9-16(15(17)10-14)19(2)11-13-6-4-3-5-7-13/h3-10,12H,11,18H2,1-2H3/t12-/m1/s1
InChIKeyKNOGYATZCZQJBG-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

4-[(1R)-1-aminoethyl]-2-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 63369536
N'-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 78948201
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]-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 78935962
4-[(1S)-1-aminoethyl]-2-bromo-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 63532832
4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline
CID 63368308
(1S)-1-[3-chloro-4-[(3-chlorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939961
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63369043
4-[(1S)-1-aminoethyl]-2-bromo-N-[(2-chlorophenyl)methyl]-N-methylaniline
CID 63532532
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylphenyl)aniline
CID 55190487
4-(1-aminoethyl)-2-chloro-N-methyl-N-(3-methylsulfanylpropyl)aniline
CID 114237199

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline (CID 63368307) is 4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline is C[C@@H](N)c1ccc(N(C)Cc2ccccc2)c(Cl)c1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline?
The InChIKey is KNOGYATZCZQJBG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-12(18)14-8-9-16(15(17)10-14)19(2)11-13-6-4-3-5-7-13/h3-10,12H,11,18H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline?
4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-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 4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline is sourced from PubChem (CID 63368307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).