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

C13H21ClN2 — CID 63368308

IUPAC4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline
SMILESCCCCN(C)c1ccc([C@@H](C)N)cc1Cl
InChIInChI=1S/C13H21ClN2/c1-4-5-8-16(3)13-7-6-11(10(2)15)9-12(13)14/h6-7,9-10H,4-5,8,15H2,1-3H3/t10-/m1/s1
InChIKeyGBZKJLHVMKJQPA-SNVBAGLBSA-N
MW240.78 g/mol
LogP3.60
Rot. Bonds5

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

4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline (PubChem CID 63368308) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline
PubChem CID63368308
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline
SMILESCCCCN(C)c1ccc([C@@H](C)N)cc1Cl
InChIInChI=1S/C13H21ClN2/c1-4-5-8-16(3)13-7-6-11(10(2)15)9-12(13)14/h6-7,9-10H,4-5,8,15H2,1-3H3/t10-/m1/s1
InChIKeyGBZKJLHVMKJQPA-SNVBAGLBSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline
CID 63532066
N'-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 78948201
4-(1-aminoethyl)-2-chloro-N-methyl-N-(3-methylsulfanylpropyl)aniline
CID 114237199
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 78935962
4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline
CID 55190463
4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline
CID 63368307
4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 78935650
2-chloro-1-N-methyl-1-N-pentylbenzene-1,4-diamine
CID 43294737
4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63982369
4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline
CID 78935924
4-[(1R)-1-aminoethyl]-2-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 63369536
4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63532385

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline (CID 63368308) is 4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline is CCCCN(C)c1ccc([C@@H](C)N)cc1Cl.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline?
The InChIKey is GBZKJLHVMKJQPA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-4-5-8-16(3)13-7-6-11(10(2)15)9-12(13)14/h6-7,9-10H,4-5,8,15H2,1-3H3/t10-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline?
4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline has a molecular weight of 240.78 g/mol, XLogP of 3.60, 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]-N-butyl-2-chloro-N-methylaniline is sourced from PubChem (CID 63368308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).