(1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine

C13H21NO — CID 93043964

IUPAC(1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine
SMILESCOCCN[C@@H](c1ccccc1)C(C)C
InChIInChI=1S/C13H21NO/c1-11(2)13(14-9-10-15-3)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3/t13-/m1/s1
InChIKeyJKTXUEHKDSVFKJ-CYBMUJFWSA-N
MW207.32 g/mol
LogP2.62
Rot. Bonds6

About (1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine

(1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine (PubChem CID 93043964) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name(1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine
PubChem CID93043964
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine
SMILESCOCCN[C@@H](c1ccccc1)C(C)C
InChIInChI=1S/C13H21NO/c1-11(2)13(14-9-10-15-3)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3/t13-/m1/s1
InChIKeyJKTXUEHKDSVFKJ-CYBMUJFWSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.62
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

N'-(2-methoxyethyl)-N'-methyl-N-(2-methyl-1-phenylpropyl)ethane-1,2-diamine
CID 62843081
N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 102977075
N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 62636093
2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine
CID 60697107
methane;2-methyl-1-phenyl-N-(2-phenylethyl)propan-1-amine
CID 70638594
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771
2-(2-methoxyethylamino)-2-phenylethanol
CID 62544769
2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine
CID 64614505
N'-ethyl-N'-methyl-N-(2-methyl-1-phenylpropyl)ethane-1,2-diamine
CID 62636240
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine
CID 62544596
(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
CID 93288190

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of (1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine (CID 93043964) is (1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for (1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for (1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine is COCCN[C@@H](c1ccccc1)C(C)C.
What is the InChIKey of (1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine?
The InChIKey is JKTXUEHKDSVFKJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)13(14-9-10-15-3)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine?
(1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 93043964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).