4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline

C15H25ClN2 — CID 78935650

IUPAC4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline
SMILESCC(C)CC(C)N(C)c1ccc([C@@H](C)N)cc1Cl
InChIInChI=1S/C15H25ClN2/c1-10(2)8-11(3)18(5)15-7-6-13(12(4)17)9-14(15)16/h6-7,9-12H,8,17H2,1-5H3/t11?,12-/m1/s1
InChIKeyVQVPFCICROABFU-PIJUOVFKSA-N
MW268.83 g/mol
LogP4.23
Rot. Bonds5

About 4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline

4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline (PubChem CID 78935650) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline
PubChem CID78935650
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline
SMILESCC(C)CC(C)N(C)c1ccc([C@@H](C)N)cc1Cl
InChIInChI=1S/C15H25ClN2/c1-10(2)8-11(3)18(5)15-7-6-13(12(4)17)9-14(15)16/h6-7,9-12H,8,17H2,1-5H3/t11?,12-/m1/s1
InChIKeyVQVPFCICROABFU-PIJUOVFKSA-N
XLogP4.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-(4-methylpentan-2-yl)aniline
CID 55223220
4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 78935421
4-[(1R)-1-aminoethyl]-2-chloro-N-propan-2-yl-N-propylaniline
CID 55190463
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 78935962
4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63982369
4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline
CID 63368308
N'-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 78948201
4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline
CID 63532066
4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline
CID 63532852
4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 55131699
4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylprop-2-enyl)aniline
CID 55189059
4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 78935511

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline (CID 78935650) is 4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline is CC(C)CC(C)N(C)c1ccc([C@@H](C)N)cc1Cl.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline?
The InChIKey is VQVPFCICROABFU-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-10(2)8-11(3)18(5)15-7-6-13(12(4)17)9-14(15)16/h6-7,9-12H,8,17H2,1-5H3/t11?,12-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline?
4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline has a molecular weight of 268.83 g/mol, XLogP of 4.23, 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]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline is sourced from PubChem (CID 78935650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).