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

C14H23NO3 — CID 107850250

IUPAC1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine
SMILESCOc1cccc(CCNC(C)C(OC)OC)c1
InChIInChI=1S/C14H23NO3/c1-11(14(17-3)18-4)15-9-8-12-6-5-7-13(10-12)16-2/h5-7,10-11,14-15H,8-9H2,1-4H3
InChIKeyXDZRGELRIRLJGI-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.83
Rot. Bonds8

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

1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine (PubChem CID 107850250) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine
PubChem CID107850250
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine
SMILESCOc1cccc(CCNC(C)C(OC)OC)c1
InChIInChI=1S/C14H23NO3/c1-11(14(17-3)18-4)15-9-8-12-6-5-7-13(10-12)16-2/h5-7,10-11,14-15H,8-9H2,1-4H3
InChIKeyXDZRGELRIRLJGI-UHFFFAOYSA-N
XLogP1.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 126843908
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
CID 103729443
N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 103777751
N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine
CID 103777713
N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 103777714
N-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 107852150
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563
4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]butan-2-amine
CID 103777711
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 103777717
1-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 107850157
1-methoxy-3-propylbenzene
CID 14270128

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine?
The IUPAC name of 1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine (CID 107850250) is 1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine is COc1cccc(CCNC(C)C(OC)OC)c1.
What is the InChIKey of 1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine?
The InChIKey is XDZRGELRIRLJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(14(17-3)18-4)15-9-8-12-6-5-7-13(10-12)16-2/h5-7,10-11,14-15H,8-9H2,1-4H3.
What are the key properties of 1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine?
1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine has a molecular weight of 253.34 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 107850250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).