2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline

C15H26N2O — CID 113388975

IUPAC2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline
SMILESCCCC(C)N(C)c1cccc(OC)c1[C@@H](C)N
InChIInChI=1S/C15H26N2O/c1-6-8-11(2)17(4)13-9-7-10-14(18-5)15(13)12(3)16/h7,9-12H,6,8,16H2,1-5H3/t11?,12-/m1/s1
InChIKeySPPHTEWAYSCEIX-PIJUOVFKSA-N
MW250.39 g/mol
LogP3.34
Rot. Bonds6

About 2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline

2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline (PubChem CID 113388975) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline
PubChem CID113388975
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline
SMILESCCCC(C)N(C)c1cccc(OC)c1[C@@H](C)N
InChIInChI=1S/C15H26N2O/c1-6-8-11(2)17(4)13-9-7-10-14(18-5)15(13)12(3)16/h7,9-12H,6,8,16H2,1-5H3/t11?,12-/m1/s1
InChIKeySPPHTEWAYSCEIX-PIJUOVFKSA-N
XLogP3.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
CID 104552391
3-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]butanenitrile
CID 113389009
3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
CID 114230283
2-[(1S)-1-aminoethyl]-3-methoxy-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 113389035
2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol
CID 113388978
2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline
CID 113388926
2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol
CID 104551156
5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol
CID 107200460
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol
CID 104861658
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol
CID 102632563
(1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine
CID 113389069
2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride
CID 171216291

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline (CID 113388975) is 2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline is CCCC(C)N(C)c1cccc(OC)c1[C@@H](C)N.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline?
The InChIKey is SPPHTEWAYSCEIX-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-8-11(2)17(4)13-9-7-10-14(18-5)15(13)12(3)16/h7,9-12H,6,8,16H2,1-5H3/t11?,12-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline?
2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline has a molecular weight of 250.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline is sourced from PubChem (CID 113388975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).