2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline

C16H27NO — CID 63451274

IUPAC2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1ccc(C)cc1OC
InChIInChI=1S/C16H27NO/c1-6-12(3)10-14(7-2)17-15-9-8-13(4)11-16(15)18-5/h8-9,11-12,14,17H,6-7,10H2,1-5H3
InChIKeyFGYRKHMPQSIRNA-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.63
Rot. Bonds7

About 2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline

2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline (PubChem CID 63451274) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline
PubChem CID63451274
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1ccc(C)cc1OC
InChIInChI=1S/C16H27NO/c1-6-12(3)10-14(7-2)17-15-9-8-13(4)11-16(15)18-5/h8-9,11-12,14,17H,6-7,10H2,1-5H3
InChIKeyFGYRKHMPQSIRNA-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline
CID 63451142
2-methoxy-4-methyl-N-propan-2-ylaniline
CID 59391426
N-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline
CID 64918846
N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline
CID 63451185
5-methoxy-4-N-(2-methoxy-4-methylphenyl)pentane-1,4-diamine
CID 103389291
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
CID 114874388
N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline
CID 43105351
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline
CID 83058583
2-methoxy-4-methyl-N-(3-methylbutyl)aniline
CID 60930975
N-heptan-4-yl-2-methoxy-5-methylaniline
CID 29294066
2-methoxy-4-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 60930849
2-methoxy-4-methyl-N-[4-(3-methylphenyl)butan-2-yl]aniline
CID 63450923

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline?
The IUPAC name of 2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline (CID 63451274) is 2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline.
What is the SMILES notation for 2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline?
The canonical SMILES for 2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline is CCC(C)CC(CC)Nc1ccc(C)cc1OC.
What is the InChIKey of 2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline?
The InChIKey is FGYRKHMPQSIRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-12(3)10-14(7-2)17-15-9-8-13(4)11-16(15)18-5/h8-9,11-12,14,17H,6-7,10H2,1-5H3.
What are the key properties of 2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline?
2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline has a molecular weight of 249.40 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline is sourced from PubChem (CID 63451274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).