4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline

C15H25ClN2 — CID 79477437

IUPAC4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(CC)c1ccc([C@@H](C)N)cc1Cl
InChIInChI=1S/C15H25ClN2/c1-5-11(3)10-18(6-2)15-8-7-13(12(4)17)9-14(15)16/h7-9,11-12H,5-6,10,17H2,1-4H3/t11?,12-/m1/s1
InChIKeyCSDAKEQJHTXDTL-PIJUOVFKSA-N
MW268.83 g/mol
LogP4.23
Rot. Bonds6

About 4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline

4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline (PubChem CID 79477437) 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-ethyl-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline
PubChem CID79477437
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(CC)c1ccc([C@@H](C)N)cc1Cl
InChIInChI=1S/C15H25ClN2/c1-5-11(3)10-18(6-2)15-8-7-13(12(4)17)9-14(15)16/h7-9,11-12H,5-6,10,17H2,1-4H3/t11?,12-/m1/s1
InChIKeyCSDAKEQJHTXDTL-PIJUOVFKSA-N
XLogP4.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 78935962
4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline
CID 79477246
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79477852
4-(1-aminoethyl)-2-bromo-N-ethyl-N-(2-methylbutyl)aniline
CID 79476860
4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylprop-2-enyl)aniline
CID 55189059
4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline
CID 63532066
4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline
CID 79477951
1-[3-chloro-4-[ethyl(2-methylbutyl)amino]phenyl]ethanone
CID 79477850
(1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol
CID 63540939
(1S)-1-[3-chloro-4-[ethyl(2-methylpropyl)amino]phenyl]ethanol
CID 78939599
4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 55189591
4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63982369

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline (CID 79477437) is 4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline is CCC(C)CN(CC)c1ccc([C@@H](C)N)cc1Cl.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline?
The InChIKey is CSDAKEQJHTXDTL-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-5-11(3)10-18(6-2)15-8-7-13(12(4)17)9-14(15)16/h7-9,11-12H,5-6,10,17H2,1-4H3/t11?,12-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline?
4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline has a molecular weight of 268.83 g/mol, XLogP of 4.23, 6 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-ethyl-N-(2-methylbutyl)aniline is sourced from PubChem (CID 79477437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).