1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine

C14H23NO — CID 112513153

IUPAC1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine
SMILESCCc1cc(CC(CC)NC)ccc1OC
InChIInChI=1S/C14H23NO/c1-5-12-9-11(7-8-14(12)16-4)10-13(6-2)15-3/h7-9,13,15H,5-6,10H2,1-4H3
InChIKeyJLHGZYXVFOAVEI-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.80
Rot. Bonds6

About 1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine

1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine (PubChem CID 112513153) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine
PubChem CID112513153
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine
SMILESCCc1cc(CC(CC)NC)ccc1OC
InChIInChI=1S/C14H23NO/c1-5-12-9-11(7-8-14(12)16-4)10-13(6-2)15-3/h7-9,13,15H,5-6,10H2,1-4H3
InChIKeyJLHGZYXVFOAVEI-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-ethyl-4-methoxyphenyl)methyl]butanenitrile
CID 116931524
N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 82224262
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
(3-ethyl-4-methoxyphenyl)methanethiol
CID 82125341
2-(3-ethyl-4-methoxyphenyl)-N'-methylacetohydrazide
CID 116846195
ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate
CID 58566780
1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine
CID 112513297
1-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62600154
4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine
CID 112517862
2-[(3-ethyl-4-methoxyphenyl)methylamino]acetonitrile
CID 115130978
1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179584
2-amino-3-[(3-ethyl-4-methoxyphenyl)methylamino]propanoic acid
CID 115240676

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine?
The IUPAC name of 1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine (CID 112513153) is 1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine is CCc1cc(CC(CC)NC)ccc1OC.
What is the InChIKey of 1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine?
The InChIKey is JLHGZYXVFOAVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-12-9-11(7-8-14(12)16-4)10-13(6-2)15-3/h7-9,13,15H,5-6,10H2,1-4H3.
What are the key properties of 1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine?
1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 112513153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).