N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine

C14H23NO — CID 105084518

IUPACN-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine
SMILESCNC(COC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C14H23NO/c1-14(2,3)16-11-13(15-4)10-12-8-6-5-7-9-12/h5-9,13,15H,10-11H2,1-4H3
InChIKeyUZESWSJJKMEUFJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.63
Rot. Bonds5

About N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine

N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine (PubChem CID 105084518) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine
PubChem CID105084518
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine
SMILESCNC(COC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C14H23NO/c1-14(2,3)16-11-13(15-4)10-12-8-6-5-7-9-12/h5-9,13,15H,10-11H2,1-4H3
InChIKeyUZESWSJJKMEUFJ-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-naphthalen-1-ylpropan-2-amine
CID 105130965
[(2S)-2-(methylamino)-3-phenylpropyl] carbamate
CID 118340486
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 105164397
1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine
CID 65132386
1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084979
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
(2S)-2-(methylamino)-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]-3-phenylpropanamide
CID 122467823
[1-(4-tert-butylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105296584
1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084372
N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 62038724
1-N-(2,4-dimethylpentan-2-yl)-2-N-methyl-3-phenylpropane-1,2-diamine
CID 142211003
[(2S)-2-(methylamino)-3-phenylpropyl] 4-methylbenzenesulfonate
CID 129254230

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine?
The IUPAC name of N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine (CID 105084518) is N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine.
What is the SMILES notation for N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine?
The canonical SMILES for N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine is CNC(COC(C)(C)C)Cc1ccccc1.
What is the InChIKey of N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine?
The InChIKey is UZESWSJJKMEUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2,3)16-11-13(15-4)10-12-8-6-5-7-9-12/h5-9,13,15H,10-11H2,1-4H3.
What are the key properties of N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine?
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine is sourced from PubChem (CID 105084518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).