N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine

C13H21NO — CID 58628220

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine
SMILESCOc1ccc([C@@H](C)NC(C)(C)C)cc1
InChIInChI=1S/C13H21NO/c1-10(14-13(2,3)4)11-6-8-12(15-5)9-7-11/h6-10,14H,1-5H3/t10-/m1/s1
InChIKeyKIHJUWKATAUSRO-SNVBAGLBSA-N
MW207.32 g/mol
LogP3.14
Rot. Bonds3

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine (PubChem CID 58628220) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine
PubChem CID58628220
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine
SMILESCOc1ccc([C@@H](C)NC(C)(C)C)cc1
InChIInChI=1S/C13H21NO/c1-10(14-13(2,3)4)11-6-8-12(15-5)9-7-11/h6-10,14H,1-5H3/t10-/m1/s1
InChIKeyKIHJUWKATAUSRO-SNVBAGLBSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
N-methoxy-1-(4-methoxyphenyl)ethanamine
CID 82706779
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
N-[1-(4-methoxyphenyl)ethyl]formamide
CID 3115584
(1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine
CID 163358815
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 17330111
N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline
CID 10379104
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209430
N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 113262472
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide
CID 131162335
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine (CID 58628220) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine is COc1ccc([C@@H](C)NC(C)(C)C)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine?
The InChIKey is KIHJUWKATAUSRO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(14-13(2,3)4)11-6-8-12(15-5)9-7-11/h6-10,14H,1-5H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 58628220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).