N-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine

C13H21NO — CID 62108356

IUPACN-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine
SMILESCOC(CNC(C)C)c1ccccc1C
InChIInChI=1S/C13H21NO/c1-10(2)14-9-13(15-4)12-8-6-5-7-11(12)3/h5-8,10,13-14H,9H2,1-4H3
InChIKeyBQQAKXRGOQKTEO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.68
Rot. Bonds5

About N-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine

N-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine (PubChem CID 62108356) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine
PubChem CID62108356
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine
SMILESCOC(CNC(C)C)c1ccccc1C
InChIInChI=1S/C13H21NO/c1-10(2)14-9-13(15-4)12-8-6-5-7-11(12)3/h5-8,10,13-14H,9H2,1-4H3
InChIKeyBQQAKXRGOQKTEO-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea
CID 97417874
N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine
CID 62107818
N-[2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine
CID 106449233
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea
CID 97417882
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 97417781
N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide
CID 90598682
N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide
CID 71810558
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 90598696
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 90598840
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 90598675
4-fluoro-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 97417642
2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598704

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine (CID 62108356) is N-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine is COC(CNC(C)C)c1ccccc1C.
What is the InChIKey of N-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine?
The InChIKey is BQQAKXRGOQKTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)14-9-13(15-4)12-8-6-5-7-11(12)3/h5-8,10,13-14H,9H2,1-4H3.
What are the key properties of N-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine?
N-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 62108356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).