1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine

C13H21NO2 — CID 43191851

IUPAC1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
SMILESCOCC(C)NC(C)c1cccc(OC)c1
InChIInChI=1S/C13H21NO2/c1-10(9-15-3)14-11(2)12-6-5-7-13(8-12)16-4/h5-8,10-11,14H,9H2,1-4H3
InChIKeyQJIBCUHYOVVHEO-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.38
Rot. Bonds6

About 1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine

1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine (PubChem CID 43191851) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
PubChem CID43191851
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
SMILESCOCC(C)NC(C)c1cccc(OC)c1
InChIInChI=1S/C13H21NO2/c1-10(9-15-3)14-11(2)12-6-5-7-13(8-12)16-4/h5-8,10-11,14H,9H2,1-4H3
InChIKeyQJIBCUHYOVVHEO-UHFFFAOYSA-N
XLogP2.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81376515
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 81366148
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanenitrile
CID 81373348
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine
CID 81376303
1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 104866423
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81354744
1-methoxy-N-(1-naphthalen-2-ylethyl)propan-2-amine
CID 43191837
1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 43193479
(2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 175732345
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine (CID 43191851) is 1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine is COCC(C)NC(C)c1cccc(OC)c1.
What is the InChIKey of 1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine?
The InChIKey is QJIBCUHYOVVHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(9-15-3)14-11(2)12-6-5-7-13(8-12)16-4/h5-8,10-11,14H,9H2,1-4H3.
What are the key properties of 1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine?
1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 43191851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).