1-(4-ethylphenoxy)-N-methylbutan-2-amine

C13H21NO — CID 62038493

IUPAC1-(4-ethylphenoxy)-N-methylbutan-2-amine
SMILESCCc1ccc(OCC(CC)NC)cc1
InChIInChI=1S/C13H21NO/c1-4-11-6-8-13(9-7-11)15-10-12(5-2)14-3/h6-9,12,14H,4-5,10H2,1-3H3
InChIKeyCKRNACPGYPEQJZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.63
Rot. Bonds6

About 1-(4-ethylphenoxy)-N-methylbutan-2-amine

1-(4-ethylphenoxy)-N-methylbutan-2-amine (PubChem CID 62038493) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(4-ethylphenoxy)-N-methylbutan-2-amine
PubChem CID62038493
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-ethylphenoxy)-N-methylbutan-2-amine
SMILESCCc1ccc(OCC(CC)NC)cc1
InChIInChI=1S/C13H21NO/c1-4-11-6-8-13(9-7-11)15-10-12(5-2)14-3/h6-9,12,14H,4-5,10H2,1-3H3
InChIKeyCKRNACPGYPEQJZ-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-propylphenoxy)pentan-2-amine
CID 62548560
N-methyl-1-naphthalen-2-yloxybutan-2-amine
CID 62041246
1-(4-ethylphenoxy)butan-2-amine
CID 62038281
3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64810173
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
1-(3,5-difluorophenoxy)-N-methylbutan-2-amine
CID 62786158
N-methyl-1-(3-methylphenoxy)butan-2-amine
CID 62038283
1-(2,2-diethoxyethoxy)-4-ethylbenzene
CID 12661794
1-[4-(2-methoxyethyl)phenoxy]-N-methylpentan-2-amine
CID 62044092
[1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-yl]hydrazine
CID 105287885
3-[4-(2-methoxyethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64807086
1-(4-chlorophenoxy)-N-methylhexan-2-amine
CID 105125626

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)-N-methylbutan-2-amine?
The IUPAC name of 1-(4-ethylphenoxy)-N-methylbutan-2-amine (CID 62038493) is 1-(4-ethylphenoxy)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(4-ethylphenoxy)-N-methylbutan-2-amine?
The canonical SMILES for 1-(4-ethylphenoxy)-N-methylbutan-2-amine is CCc1ccc(OCC(CC)NC)cc1.
What is the InChIKey of 1-(4-ethylphenoxy)-N-methylbutan-2-amine?
The InChIKey is CKRNACPGYPEQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11-6-8-13(9-7-11)15-10-12(5-2)14-3/h6-9,12,14H,4-5,10H2,1-3H3.
What are the key properties of 1-(4-ethylphenoxy)-N-methylbutan-2-amine?
1-(4-ethylphenoxy)-N-methylbutan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)-N-methylbutan-2-amine is sourced from PubChem (CID 62038493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).