4-hexan-3-yloxy-N-(4-methylheptan-4-yl)aniline

C20H35NO — CID 166679637

IUPAC4-hexan-3-yloxy-N-(4-methylheptan-4-yl)aniline
SMILESCCCC(CC)Oc1ccc(NC(C)(CCC)CCC)cc1
InChIInChI=1S/C20H35NO/c1-6-10-18(9-4)22-19-13-11-17(12-14-19)21-20(5,15-7-2)16-8-3/h11-14,18,21H,6-10,15-16H2,1-5H3
InChIKeyGMDCUYCVWTXYOU-UHFFFAOYSA-N
MW305.51 g/mol
LogP6.41
Rot. Bonds11

About 4-hexan-3-yloxy-N-(4-methylheptan-4-yl)aniline

4-hexan-3-yloxy-N-(4-methylheptan-4-yl)aniline (PubChem CID 166679637) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is 4-hexan-3-yloxy-N-(4-methylheptan-4-yl)aniline.

Molecular Properties

Compound Name4-hexan-3-yloxy-N-(4-methylheptan-4-yl)aniline
PubChem CID166679637
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name4-hexan-3-yloxy-N-(4-methylheptan-4-yl)aniline
SMILESCCCC(CC)Oc1ccc(NC(C)(CCC)CCC)cc1
InChIInChI=1S/C20H35NO/c1-6-10-18(9-4)22-19-13-11-17(12-14-19)21-20(5,15-7-2)16-8-3/h11-14,18,21H,6-10,15-16H2,1-5H3
InChIKeyGMDCUYCVWTXYOU-UHFFFAOYSA-N
XLogP6.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-4-hexan-3-yloxybenzene
CID 22475840
ethane;4-hexan-3-yloxybenzonitrile
CID 143097609
N-tert-butyl-2-phenoxypentan-1-amine
CID 83043967
1-hexan-3-yloxy-4-nitrobenzene
CID 147757571
1-chloro-4-heptan-4-yloxybenzene
CID 142490419
N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine
CID 83049497
2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83046661
N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine
CID 83045946
N-(4-methyldecan-4-yl)aniline
CID 166741267
4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline
CID 174182706
2-(4-chloroanilino)-2-methylpentan-1-ol
CID 61047723
4-octan-3-yloxyphenol
CID 54268247

Frequently Asked Questions

What is the IUPAC name of 4-hexan-3-yloxy-N-(4-methylheptan-4-yl)aniline?
The IUPAC name of 4-hexan-3-yloxy-N-(4-methylheptan-4-yl)aniline (CID 166679637) is 4-hexan-3-yloxy-N-(4-methylheptan-4-yl)aniline.
What is the SMILES notation for 4-hexan-3-yloxy-N-(4-methylheptan-4-yl)aniline?
The canonical SMILES for 4-hexan-3-yloxy-N-(4-methylheptan-4-yl)aniline is CCCC(CC)Oc1ccc(NC(C)(CCC)CCC)cc1.
What is the InChIKey of 4-hexan-3-yloxy-N-(4-methylheptan-4-yl)aniline?
The InChIKey is GMDCUYCVWTXYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO/c1-6-10-18(9-4)22-19-13-11-17(12-14-19)21-20(5,15-7-2)16-8-3/h11-14,18,21H,6-10,15-16H2,1-5H3.
What are the key properties of 4-hexan-3-yloxy-N-(4-methylheptan-4-yl)aniline?
4-hexan-3-yloxy-N-(4-methylheptan-4-yl)aniline has a molecular weight of 305.51 g/mol, XLogP of 6.41, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexan-3-yloxy-N-(4-methylheptan-4-yl)aniline is sourced from PubChem (CID 166679637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).