N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine

C16H27NO — CID 55106705

IUPACN-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine
SMILESCCNCC(C)(CC)Cc1cc(C)ccc1OC
InChIInChI=1S/C16H27NO/c1-6-16(4,12-17-7-2)11-14-10-13(3)8-9-15(14)18-5/h8-10,17H,6-7,11-12H2,1-5H3
InChIKeyBCGMXEYIFGNEPC-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.57
Rot. Bonds7

About N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine

N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine (PubChem CID 55106705) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine
PubChem CID55106705
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine
SMILESCCNCC(C)(CC)Cc1cc(C)ccc1OC
InChIInChI=1S/C16H27NO/c1-6-16(4,12-17-7-2)11-14-10-13(3)8-9-15(14)18-5/h8-10,17H,6-7,11-12H2,1-5H3
InChIKeyBCGMXEYIFGNEPC-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 62726093
2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 63507865
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63509370
N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine
CID 62594384
1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 62534879
2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
CID 63507590
methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate
CID 106487848
2-(chloromethyl)-2-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine
CID 114164282
N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 66025990
2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640
1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol
CID 80557783
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200149

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine?
The IUPAC name of N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine (CID 55106705) is N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine is CCNCC(C)(CC)Cc1cc(C)ccc1OC.
What is the InChIKey of N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine?
The InChIKey is BCGMXEYIFGNEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-16(4,12-17-7-2)11-14-10-13(3)8-9-15(14)18-5/h8-10,17H,6-7,11-12H2,1-5H3.
What are the key properties of N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine?
N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 55106705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).