2-methyl-N-(5-methylhexan-2-yl)aniline

C14H23N — CID 43095435

IUPAC2-methyl-N-(5-methylhexan-2-yl)aniline
SMILESCc1ccccc1NC(C)CCC(C)C
InChIInChI=1S/C14H23N/c1-11(2)9-10-13(4)15-14-8-6-5-7-12(14)3/h5-8,11,13,15H,9-10H2,1-4H3
InChIKeyOFGDOIDAODDIHW-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.23
Rot. Bonds5

About 2-methyl-N-(5-methylhexan-2-yl)aniline

2-methyl-N-(5-methylhexan-2-yl)aniline (PubChem CID 43095435) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-methyl-N-(5-methylhexan-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-N-(5-methylhexan-2-yl)aniline
PubChem CID43095435
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-methyl-N-(5-methylhexan-2-yl)aniline
SMILESCc1ccccc1NC(C)CCC(C)C
InChIInChI=1S/C14H23N/c1-11(2)9-10-13(4)15-14-8-6-5-7-12(14)3/h5-8,11,13,15H,9-10H2,1-4H3
InChIKeyOFGDOIDAODDIHW-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(4-methylpentan-2-yl)aniline
CID 43196655
2-methyl-N-(5-methylhexan-2-yl)quinolin-4-amine
CID 63926717
N-(5-methylhexan-2-yl)-2-nitroaniline
CID 43718167
4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile
CID 63477258
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine
CID 159136598
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine;1-N-butan-2-yl-2-N-pentan-3-ylbenzene-1,2-diamine;1-N,4-N-di(butan-2-yl)benzene-1,4-diamine
CID 157426690
3-chloro-1-N-(5-methylhexan-2-yl)benzene-1,2-diamine
CID 104834574
5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
CID 81373170
N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)aniline
CID 43689164
3-N-(2,3-dimethylphenyl)butane-1,3-diamine
CID 117027018
2-methyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43108740
2-methoxy-N-(5-methylhexan-2-yl)pyridin-3-amine
CID 43721830

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methylhexan-2-yl)aniline?
The IUPAC name of 2-methyl-N-(5-methylhexan-2-yl)aniline (CID 43095435) is 2-methyl-N-(5-methylhexan-2-yl)aniline.
What is the SMILES notation for 2-methyl-N-(5-methylhexan-2-yl)aniline?
The canonical SMILES for 2-methyl-N-(5-methylhexan-2-yl)aniline is Cc1ccccc1NC(C)CCC(C)C.
What is the InChIKey of 2-methyl-N-(5-methylhexan-2-yl)aniline?
The InChIKey is OFGDOIDAODDIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-11(2)9-10-13(4)15-14-8-6-5-7-12(14)3/h5-8,11,13,15H,9-10H2,1-4H3.
What are the key properties of 2-methyl-N-(5-methylhexan-2-yl)aniline?
2-methyl-N-(5-methylhexan-2-yl)aniline has a molecular weight of 205.34 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methylhexan-2-yl)aniline is sourced from PubChem (CID 43095435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).