(1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine

C15H25NO — CID 113355515

IUPAC(1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
SMILESCc1ccc([C@@H](C)NCCOC(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-12-6-8-14(9-7-12)13(2)16-10-11-17-15(3,4)5/h6-9,13,16H,10-11H2,1-5H3/t13-/m1/s1
InChIKeyCJTRAZXKQGZXTL-CYBMUJFWSA-N
MW235.37 g/mol
LogP3.46
Rot. Bonds5

About (1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine

(1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine (PubChem CID 113355515) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
PubChem CID113355515
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
SMILESCc1ccc([C@@H](C)NCCOC(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-12-6-8-14(9-7-12)13(2)16-10-11-17-15(3,4)5/h6-9,13,16H,10-11H2,1-5H3/t13-/m1/s1
InChIKeyCJTRAZXKQGZXTL-CYBMUJFWSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 112695735
(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357099
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine
CID 112568339
(1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 103179242
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine
CID 104628706
3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 43207255
N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587927
N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 115943428
N-[1-(4-methylphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43191140
5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine
CID 115325063

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The IUPAC name of (1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine (CID 113355515) is (1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The canonical SMILES for (1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine is Cc1ccc([C@@H](C)NCCOC(C)(C)C)cc1.
What is the InChIKey of (1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The InChIKey is CJTRAZXKQGZXTL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25NO/c1-12-6-8-14(9-7-12)13(2)16-10-11-17-15(3,4)5/h6-9,13,16H,10-11H2,1-5H3/t13-/m1/s1.
What are the key properties of (1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
(1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine is sourced from PubChem (CID 113355515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).