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

C17H29NO2 — CID 62109389

IUPACN-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine
SMILESCCCCCOC(CNCCC)c1cccc(OC)c1
InChIInChI=1S/C17H29NO2/c1-4-6-7-12-20-17(14-18-11-5-2)15-9-8-10-16(13-15)19-3/h8-10,13,17-18H,4-7,11-12,14H2,1-3H3
InChIKeyFHDHVXHELXFXHA-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds11

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

N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine (PubChem CID 62109389) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine
PubChem CID62109389
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine
SMILESCCCCCOC(CNCCC)c1cccc(OC)c1
InChIInChI=1S/C17H29NO2/c1-4-6-7-12-20-17(14-18-11-5-2)15-9-8-10-16(13-15)19-3/h8-10,13,17-18H,4-7,11-12,14H2,1-3H3
InChIKeyFHDHVXHELXFXHA-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.94
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

2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine
CID 55036389
N-[2-(3-bromophenyl)-2-hexoxyethyl]propan-1-amine
CID 63475192
N-ethyl-2-(3-methoxyphenyl)-2-propoxyethanamine
CID 55036120
1-(2-bromo-1-hexoxyethyl)-3-methoxybenzene
CID 62108343
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107945
2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine
CID 63474835
N-[2-ethoxy-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62108346
2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 82006979
2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82792850
2-(4-methoxyphenyl)-N-methyl-2-pentoxyethanamine
CID 62110727
2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 106205144

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine (CID 62109389) is N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine is CCCCCOC(CNCCC)c1cccc(OC)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine?
The InChIKey is FHDHVXHELXFXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-6-7-12-20-17(14-18-11-5-2)15-9-8-10-16(13-15)19-3/h8-10,13,17-18H,4-7,11-12,14H2,1-3H3.
What are the key properties of N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine?
N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.94, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine is sourced from PubChem (CID 62109389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).