N-methyl-2-phenylmethoxypropan-2-amine

C11H17NO — CID 144538471

IUPACN-methyl-2-phenylmethoxypropan-2-amine
SMILESCNC(C)(C)OCc1ccccc1
InChIInChI=1S/C11H17NO/c1-11(2,12-3)13-9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKeyCXFKXWWDDXVGDQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.16
Rot. Bonds4

About N-methyl-2-phenylmethoxypropan-2-amine

N-methyl-2-phenylmethoxypropan-2-amine (PubChem CID 144538471) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-methyl-2-phenylmethoxypropan-2-amine.

Molecular Properties

Compound NameN-methyl-2-phenylmethoxypropan-2-amine
PubChem CID144538471
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-methyl-2-phenylmethoxypropan-2-amine
SMILESCNC(C)(C)OCc1ccccc1
InChIInChI=1S/C11H17NO/c1-11(2,12-3)13-9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKeyCXFKXWWDDXVGDQ-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 134222440
(3-bromo-2,3-dimethylbutan-2-yl)oxymethylbenzene
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(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
CID 58044547
2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
4-(2-phenylmethoxypropan-2-yl)aniline
CID 122627268
ethane;2,4,4-trimethylpentan-2-yloxymethylbenzene
CID 158923607
trifluoro(2-phenylmethoxypropan-2-yl)boranuide
CID 153353035
4-methylheptan-4-yloxymethylbenzene
CID 20782055
1,1-difluorohexoxymethylbenzene
CID 67797942
[dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene
CID 158709206

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenylmethoxypropan-2-amine?
The IUPAC name of N-methyl-2-phenylmethoxypropan-2-amine (CID 144538471) is N-methyl-2-phenylmethoxypropan-2-amine.
What is the SMILES notation for N-methyl-2-phenylmethoxypropan-2-amine?
The canonical SMILES for N-methyl-2-phenylmethoxypropan-2-amine is CNC(C)(C)OCc1ccccc1.
What is the InChIKey of N-methyl-2-phenylmethoxypropan-2-amine?
The InChIKey is CXFKXWWDDXVGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,12-3)13-9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3.
What are the key properties of N-methyl-2-phenylmethoxypropan-2-amine?
N-methyl-2-phenylmethoxypropan-2-amine has a molecular weight of 179.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenylmethoxypropan-2-amine is sourced from PubChem (CID 144538471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).