N-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine

C15H25NO4 — CID 62599477

IUPACN-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCOc1c(OC)cc(C)cc1OC
InChIInChI=1S/C15H25NO4/c1-12-10-13(18-3)15(14(11-12)19-4)20-9-7-16-6-5-8-17-2/h10-11,16H,5-9H2,1-4H3
InChIKeySOLQXIWKUGZDNW-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.02
Rot. Bonds10

About N-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine

N-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine (PubChem CID 62599477) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine
PubChem CID62599477
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC NameN-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCOc1c(OC)cc(C)cc1OC
InChIInChI=1S/C15H25NO4/c1-12-10-13(18-3)15(14(11-12)19-4)20-9-7-16-6-5-8-17-2/h10-11,16H,5-9H2,1-4H3
InChIKeySOLQXIWKUGZDNW-UHFFFAOYSA-N
XLogP2.02
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine
CID 62572083
3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933
2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62599304
4-(2-bromo-6-chloro-4-methylphenoxy)-N-(3-methoxypropyl)butan-1-amine
CID 2299297
3-(2-chloro-4-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62671685
1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54936066
3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599508
3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 2300142
3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 43406573
[3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine
CID 104646966
N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2276677
3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine
CID 62598903

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine (CID 62599477) is N-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine is COCCCNCCOc1c(OC)cc(C)cc1OC.
What is the InChIKey of N-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine?
The InChIKey is SOLQXIWKUGZDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-12-10-13(18-3)15(14(11-12)19-4)20-9-7-16-6-5-8-17-2/h10-11,16H,5-9H2,1-4H3.
What are the key properties of N-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine?
N-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine has a molecular weight of 283.37 g/mol, XLogP of 2.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 62599477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).