N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine

C14H23NO3 — CID 62597582

IUPACN-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine
SMILESCCCCNCCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H23NO3/c1-4-5-6-15-7-8-18-14-10-12(16-2)9-13(11-14)17-3/h9-11,15H,4-8H2,1-3H3
InChIKeyILOMKHFUOUPZTD-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.47
Rot. Bonds9

About N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine

N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine (PubChem CID 62597582) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine
PubChem CID62597582
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine
SMILESCCCCNCCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H23NO3/c1-4-5-6-15-7-8-18-14-10-12(16-2)9-13(11-14)17-3/h9-11,15H,4-8H2,1-3H3
InChIKeyILOMKHFUOUPZTD-UHFFFAOYSA-N
XLogP2.47
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 2247389
N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
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CID 62598284
1-butoxy-3-methoxy-5-methylbenzene
CID 118268625
N-[2-(3-methoxy-5-nitrophenoxy)ethyl]propan-1-amine
CID 80743291
N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine
CID 62783809
N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine
CID 62573044
1,3,5-tributoxybenzene
CID 15933337
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
N-[2-(3-chlorophenoxy)ethyl]butan-1-amine
CID 60684753
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097
N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine
CID 2296857

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine?
The IUPAC name of N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine (CID 62597582) is N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine?
The canonical SMILES for N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine is CCCCNCCOc1cc(OC)cc(OC)c1.
What is the InChIKey of N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine?
The InChIKey is ILOMKHFUOUPZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-5-6-15-7-8-18-14-10-12(16-2)9-13(11-14)17-3/h9-11,15H,4-8H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine?
N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine is sourced from PubChem (CID 62597582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).