N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine

C15H25NO3 — CID 62570987

IUPACN-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine
SMILESCOc1cccc(OC)c1OCCNC(C)C(C)C
InChIInChI=1S/C15H25NO3/c1-11(2)12(3)16-9-10-19-15-13(17-4)7-6-8-14(15)18-5/h6-8,11-12,16H,9-10H2,1-5H3
InChIKeyYESQKLZWLJAVJF-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.72
Rot. Bonds8

About N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine

N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine (PubChem CID 62570987) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine
PubChem CID62570987
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine
SMILESCOc1cccc(OC)c1OCCNC(C)C(C)C
InChIInChI=1S/C15H25NO3/c1-11(2)12(3)16-9-10-19-15-13(17-4)7-6-8-14(15)18-5/h6-8,11-12,16H,9-10H2,1-5H3
InChIKeyYESQKLZWLJAVJF-UHFFFAOYSA-N
XLogP2.72
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.72
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

N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine
CID 2934297
3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933
N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine
CID 62572083
4-(2,6-dimethoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 62449812
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300
N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine
CID 63517046
N-[2-(2,4-difluorophenoxy)ethyl]-3-methylbutan-2-amine
CID 55088305
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 55088741
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine
CID 28917828
3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine
CID 63517055
1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine
CID 62572002

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine?
The IUPAC name of N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine (CID 62570987) is N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine is COc1cccc(OC)c1OCCNC(C)C(C)C.
What is the InChIKey of N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine?
The InChIKey is YESQKLZWLJAVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)12(3)16-9-10-19-15-13(17-4)7-6-8-14(15)18-5/h6-8,11-12,16H,9-10H2,1-5H3.
What are the key properties of N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine?
N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine is sourced from PubChem (CID 62570987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).