N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine

C13H21NO2 — CID 64865776

IUPACN-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine
SMILESCCCNCCc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H21NO2/c1-4-6-14-7-5-11-8-12(15-2)10-13(9-11)16-3/h8-10,14H,4-7H2,1-3H3
InChIKeyURAKGOMJRMCIPO-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.25
Rot. Bonds7

About N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine

N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine (PubChem CID 64865776) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine
PubChem CID64865776
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine
SMILESCCCNCCc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H21NO2/c1-4-6-14-7-5-11-8-12(15-2)10-13(9-11)16-3/h8-10,14H,4-7H2,1-3H3
InChIKeyURAKGOMJRMCIPO-UHFFFAOYSA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
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-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
CID 113410220
N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 64867284
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
1-butyl-3,5-dimethoxybenzene
CID 524875
N-butylsulfanyl-2-(3,5-dimethoxyphenyl)ethanamine
CID 175843537
2-methoxy-5-[2-(propylamino)ethyl]benzonitrile
CID 65340802
N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 39245762
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755
1-(2-bromoethyl)-3,5-dimethoxybenzene
CID 12560827
N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine
CID 121299623
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine (CID 64865776) is N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine is CCCNCCc1cc(OC)cc(OC)c1.
What is the InChIKey of N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine?
The InChIKey is URAKGOMJRMCIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-6-14-7-5-11-8-12(15-2)10-13(9-11)16-3/h8-10,14H,4-7H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine?
N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 64865776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).