N-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline

C17H29NO — CID 63451142

IUPACN-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NC(CC(C)C)CC(C)C
InChIInChI=1S/C17H29NO/c1-12(2)9-15(10-13(3)4)18-16-8-7-14(5)11-17(16)19-6/h7-8,11-13,15,18H,9-10H2,1-6H3
InChIKeyHHKWCJFQESELTI-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.88
Rot. Bonds7

About N-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline

N-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline (PubChem CID 63451142) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline.

Molecular Properties

Compound NameN-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline
PubChem CID63451142
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NC(CC(C)C)CC(C)C
InChIInChI=1S/C17H29NO/c1-12(2)9-15(10-13(3)4)18-16-8-7-14(5)11-17(16)19-6/h7-8,11-13,15,18H,9-10H2,1-6H3
InChIKeyHHKWCJFQESELTI-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline
CID 63451274
2-methoxy-4-methyl-N-propan-2-ylaniline
CID 59391426
2-methoxy-4-methyl-N-(3-methylbutyl)aniline
CID 60930975
N-(2,6-dimethylheptan-4-yl)-2-fluoro-4-methylaniline
CID 28890755
5-methoxy-4-N-(2-methoxy-4-methylphenyl)pentane-1,4-diamine
CID 103389291
N-(2,6-dimethylheptan-4-yl)-3,4-dimethoxyaniline
CID 29054156
2-methoxy-4-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 60930849
N-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline
CID 64918846
2-methoxy-4-methyl-N-[4-(3-methylphenyl)butan-2-yl]aniline
CID 63450923
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline
CID 83058583
N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline
CID 63451185
N-(dithiophen-2-ylmethyl)-2-methoxy-4-methylaniline
CID 60932474

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline?
The IUPAC name of N-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline (CID 63451142) is N-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline.
What is the SMILES notation for N-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline?
The canonical SMILES for N-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline is COc1cc(C)ccc1NC(CC(C)C)CC(C)C.
What is the InChIKey of N-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline?
The InChIKey is HHKWCJFQESELTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12(2)9-15(10-13(3)4)18-16-8-7-14(5)11-17(16)19-6/h7-8,11-13,15,18H,9-10H2,1-6H3.
What are the key properties of N-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline?
N-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline has a molecular weight of 263.42 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline is sourced from PubChem (CID 63451142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).