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

C17H21ClN2 — CID 78935522

IUPAC4-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
SMILESCC(c1ccccc1Cl)N(C)c1ccc([C@@H](C)N)cc1
InChIInChI=1S/C17H21ClN2/c1-12(19)14-8-10-15(11-9-14)20(3)13(2)16-6-4-5-7-17(16)18/h4-13H,19H2,1-3H3/t12-,13?/m1/s1
InChIKeyHWKGOQIAXDNENR-PZORYLMUSA-N
MW288.82 g/mol
LogP4.56
Rot. Bonds4

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

4-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline (PubChem CID 78935522) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
PubChem CID78935522
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name4-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
SMILESCC(c1ccccc1Cl)N(C)c1ccc([C@@H](C)N)cc1
InChIInChI=1S/C17H21ClN2/c1-12(19)14-8-10-15(11-9-14)20(3)13(2)16-6-4-5-7-17(16)18/h4-13H,19H2,1-3H3/t12-,13?/m1/s1
InChIKeyHWKGOQIAXDNENR-PZORYLMUSA-N
XLogP4.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(1S)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
CID 63369336
6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine
CID 83122536
4-[(1S)-1-aminoethyl]-N-[1-(3-chlorophenyl)ethyl]-N-methylaniline
CID 63369064
2-amino-5-[1-(2-chlorophenyl)ethyl-methylamino]benzoic acid
CID 62979439
4-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylbenzenecarbothioamide
CID 81269946
5-[1-(2-chlorophenyl)ethyl-methylamino]pyridine-2-carbothioamide
CID 115488566
4-N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63677772
4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 55141046
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
4-[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]benzonitrile
CID 62971467
4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 22115274

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline (CID 78935522) is 4-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline is CC(c1ccccc1Cl)N(C)c1ccc([C@@H](C)N)cc1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline?
The InChIKey is HWKGOQIAXDNENR-PZORYLMUSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-12(19)14-8-10-15(11-9-14)20(3)13(2)16-6-4-5-7-17(16)18/h4-13H,19H2,1-3H3/t12-,13?/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline?
4-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline has a molecular weight of 288.82 g/mol, XLogP of 4.56, 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-[1-(2-chlorophenyl)ethyl]-N-methylaniline is sourced from PubChem (CID 78935522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).