3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine

C13H21NO2 — CID 87013054

IUPAC3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
SMILESCOCCCN(C)CCOc1ccccc1
InChIInChI=1S/C13H21NO2/c1-14(9-6-11-15-2)10-12-16-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3
InChIKeyIPLLZAJHWIPHTC-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.03
Rot. Bonds8

About 3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine

3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine (PubChem CID 87013054) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
PubChem CID87013054
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
SMILESCOCCCN(C)CCOc1ccccc1
InChIInChI=1S/C13H21NO2/c1-14(9-6-11-15-2)10-12-16-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3
InChIKeyIPLLZAJHWIPHTC-UHFFFAOYSA-N
XLogP2.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine
CID 60970554
4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline
CID 55141452
4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
CID 61427012
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine
CID 63007403
2-bromo-3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 80690277
N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 63009386
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767
3-[methyl-[3-(4-phenoxyphenoxy)propyl]amino]propanoic acid
CID 11823669
N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
N-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine
CID 113468128
2-[methyl(3-phenoxypropyl)amino]ethanethioamide
CID 62936274
N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915009

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine (CID 87013054) is 3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine is COCCCN(C)CCOc1ccccc1.
What is the InChIKey of 3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine?
The InChIKey is IPLLZAJHWIPHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-14(9-6-11-15-2)10-12-16-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3.
What are the key properties of 3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine?
3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine is sourced from PubChem (CID 87013054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).