2-(2,3-dimethylheptan-4-yl)-5-methylaniline

C16H27N — CID 167223438

IUPAC2-(2,3-dimethylheptan-4-yl)-5-methylaniline
SMILESCCCC(c1ccc(C)cc1N)C(C)C(C)C
InChIInChI=1S/C16H27N/c1-6-7-14(13(5)11(2)3)15-9-8-12(4)10-16(15)17/h8-11,13-14H,6-7,17H2,1-5H3
InChIKeyINOMERSSGHGHPR-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.75
Rot. Bonds5

About 2-(2,3-dimethylheptan-4-yl)-5-methylaniline

2-(2,3-dimethylheptan-4-yl)-5-methylaniline (PubChem CID 167223438) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-(2,3-dimethylheptan-4-yl)-5-methylaniline.

Molecular Properties

Compound Name2-(2,3-dimethylheptan-4-yl)-5-methylaniline
PubChem CID167223438
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-(2,3-dimethylheptan-4-yl)-5-methylaniline
SMILESCCCC(c1ccc(C)cc1N)C(C)C(C)C
InChIInChI=1S/C16H27N/c1-6-7-14(13(5)11(2)3)15-9-8-12(4)10-16(15)17/h8-11,13-14H,6-7,17H2,1-5H3
InChIKeyINOMERSSGHGHPR-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethane;5-methyl-2-propan-2-ylaniline
CID 142850696
4-methyl-2-pentan-2-yloxyaniline
CID 102980406
1-(2-amino-5-methylphenyl)butan-1-ol
CID 112541135
butane;4-methylbenzene-1,2-diamine
CID 138693326
1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol
CID 105447479
2-[(2R)-heptan-2-yl]oxy-5-methylaniline
CID 40788230
1-heptan-4-yl-2,4-dimethylbenzene
CID 142336118
1-(2-amino-4-methylphenyl)butane-1,2,4-triol
CID 171872034
5-methyl-2-(2-methylpentylsulfonyl)aniline
CID 81193186
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
CID 115845282
(1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine
CID 107891054
3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol
CID 170827782

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylheptan-4-yl)-5-methylaniline?
The IUPAC name of 2-(2,3-dimethylheptan-4-yl)-5-methylaniline (CID 167223438) is 2-(2,3-dimethylheptan-4-yl)-5-methylaniline.
What is the SMILES notation for 2-(2,3-dimethylheptan-4-yl)-5-methylaniline?
The canonical SMILES for 2-(2,3-dimethylheptan-4-yl)-5-methylaniline is CCCC(c1ccc(C)cc1N)C(C)C(C)C.
What is the InChIKey of 2-(2,3-dimethylheptan-4-yl)-5-methylaniline?
The InChIKey is INOMERSSGHGHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-7-14(13(5)11(2)3)15-9-8-12(4)10-16(15)17/h8-11,13-14H,6-7,17H2,1-5H3.
What are the key properties of 2-(2,3-dimethylheptan-4-yl)-5-methylaniline?
2-(2,3-dimethylheptan-4-yl)-5-methylaniline has a molecular weight of 233.40 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylheptan-4-yl)-5-methylaniline is sourced from PubChem (CID 167223438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).