4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine

C14H23NO — CID 116924943

IUPAC4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine
SMILESCCc1ccc(OC)c(CCC(C)CN)c1
InChIInChI=1S/C14H23NO/c1-4-12-6-8-14(16-3)13(9-12)7-5-11(2)10-15/h6,8-9,11H,4-5,7,10,15H2,1-3H3
InChIKeySGYQXNBFVUMPTK-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.79
Rot. Bonds6

About 4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine

4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine (PubChem CID 116924943) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine
PubChem CID116924943
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine
SMILESCCc1ccc(OC)c(CCC(C)CN)c1
InChIInChI=1S/C14H23NO/c1-4-12-6-8-14(16-3)13(9-12)7-5-11(2)10-15/h6,8-9,11H,4-5,7,10,15H2,1-3H3
InChIKeySGYQXNBFVUMPTK-UHFFFAOYSA-N
XLogP2.79
TPSA35.25 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine
CID 112517862
2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040130
6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine
CID 83942665
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine
CID 83942714
N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine
CID 115198252
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid
CID 115005494
N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine
CID 115225717
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115206001
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
CID 83942693

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine?
The IUPAC name of 4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine (CID 116924943) is 4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine?
The canonical SMILES for 4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine is CCc1ccc(OC)c(CCC(C)CN)c1.
What is the InChIKey of 4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine?
The InChIKey is SGYQXNBFVUMPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-12-6-8-14(16-3)13(9-12)7-5-11(2)10-15/h6,8-9,11H,4-5,7,10,15H2,1-3H3.
What are the key properties of 4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine?
4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 116924943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).