N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine

C16H27NO — CID 62594384

IUPACN,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine
SMILESCCNCC(CC)(CC)c1cc(C)ccc1OC
InChIInChI=1S/C16H27NO/c1-6-16(7-2,12-17-8-3)14-11-13(4)9-10-15(14)18-5/h9-11,17H,6-8,12H2,1-5H3
InChIKeyIWGHNPKMOBLOKS-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.67
Rot. Bonds7

About N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine

N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine (PubChem CID 62594384) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine
PubChem CID62594384
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine
SMILESCCNCC(CC)(CC)c1cc(C)ccc1OC
InChIInChI=1S/C16H27NO/c1-6-16(7-2,12-17-8-3)14-11-13(4)9-10-15(14)18-5/h9-11,17H,6-8,12H2,1-5H3
InChIKeyIWGHNPKMOBLOKS-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile
CID 55026470
N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine
CID 55106705
3-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 62796425
1,1,1-trifluoro-2-(2-methoxy-5-methylphenyl)butan-2-ol
CID 83958038
2-(2-methoxy-5-methylphenyl)-N-methylpropan-2-amine
CID 82281676
N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 115262514
N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 83107386
chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
CID 89214237
4-(2-methoxy-5-methylphenyl)heptan-4-amine
CID 54886794
2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid
CID 43753817
N-ethyl-2-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-amine
CID 112518134
3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propane-1-thiol
CID 115225320

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine?
The IUPAC name of N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine (CID 62594384) is N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine.
What is the SMILES notation for N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine?
The canonical SMILES for N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine is CCNCC(CC)(CC)c1cc(C)ccc1OC.
What is the InChIKey of N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine?
The InChIKey is IWGHNPKMOBLOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-16(7-2,12-17-8-3)14-11-13(4)9-10-15(14)18-5/h9-11,17H,6-8,12H2,1-5H3.
What are the key properties of N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine?
N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine is sourced from PubChem (CID 62594384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).