1-methoxy-N,N-dimethyl-3-phenylmethoxypropan-2-amine

C13H21NO2 — CID 123394130

IUPAC1-methoxy-N,N-dimethyl-3-phenylmethoxypropan-2-amine
SMILESCOCC(COCc1ccccc1)N(C)C
InChIInChI=1S/C13H21NO2/c1-14(2)13(10-15-3)11-16-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKeyROZDLMPIBHEJAE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.78
Rot. Bonds7

About 1-methoxy-N,N-dimethyl-3-phenylmethoxypropan-2-amine

1-methoxy-N,N-dimethyl-3-phenylmethoxypropan-2-amine (PubChem CID 123394130) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methoxy-N,N-dimethyl-3-phenylmethoxypropan-2-amine.

Molecular Properties

Compound Name1-methoxy-N,N-dimethyl-3-phenylmethoxypropan-2-amine
PubChem CID123394130
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-methoxy-N,N-dimethyl-3-phenylmethoxypropan-2-amine
SMILESCOCC(COCc1ccccc1)N(C)C
InChIInChI=1S/C13H21NO2/c1-14(2)13(10-15-3)11-16-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKeyROZDLMPIBHEJAE-UHFFFAOYSA-N
XLogP1.78
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N,N-dimethyl-1-phenylmethoxypropan-2-amine
CID 165125005
N,N-dimethyl-4-phenylmethoxybutan-2-amine
CID 142063705
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene
CID 139525451
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol
CID 101031219
ethane;phenylmethoxymethylbenzene
CID 90943549
2-phenylmethoxyethane-1,1-diol
CID 59866645
2,2-dibromoethoxymethylbenzene
CID 14668834
[(2S)-3-methoxy-2-octadecoxypropoxy]methylbenzene
CID 167022005
N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 20583824
methyl(1-phenylmethoxypropan-2-yl)cyanamide
CID 175240736

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N,N-dimethyl-3-phenylmethoxypropan-2-amine?
The IUPAC name of 1-methoxy-N,N-dimethyl-3-phenylmethoxypropan-2-amine (CID 123394130) is 1-methoxy-N,N-dimethyl-3-phenylmethoxypropan-2-amine.
What is the SMILES notation for 1-methoxy-N,N-dimethyl-3-phenylmethoxypropan-2-amine?
The canonical SMILES for 1-methoxy-N,N-dimethyl-3-phenylmethoxypropan-2-amine is COCC(COCc1ccccc1)N(C)C.
What is the InChIKey of 1-methoxy-N,N-dimethyl-3-phenylmethoxypropan-2-amine?
The InChIKey is ROZDLMPIBHEJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-14(2)13(10-15-3)11-16-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3.
What are the key properties of 1-methoxy-N,N-dimethyl-3-phenylmethoxypropan-2-amine?
1-methoxy-N,N-dimethyl-3-phenylmethoxypropan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,N-dimethyl-3-phenylmethoxypropan-2-amine is sourced from PubChem (CID 123394130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).