N-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline

C16H27NO — CID 63451236

IUPACN-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline
SMILESCCCCC(C)Nc1ccc(OC(C)C)cc1C
InChIInChI=1S/C16H27NO/c1-6-7-8-14(5)17-16-10-9-15(11-13(16)4)18-12(2)3/h9-12,14,17H,6-8H2,1-5H3
InChIKeyRAXVFRDWQDCGDE-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.77
Rot. Bonds7

About N-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline

N-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline (PubChem CID 63451236) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline
PubChem CID63451236
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline
SMILESCCCCC(C)Nc1ccc(OC(C)C)cc1C
InChIInChI=1S/C16H27NO/c1-6-7-8-14(5)17-16-10-9-15(11-13(16)4)18-12(2)3/h9-12,14,17H,6-8H2,1-5H3
InChIKeyRAXVFRDWQDCGDE-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
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

N-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline
CID 63450885
2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline
CID 63451459
N-hexan-2-yl-2-methyl-4-nitroaniline
CID 43785860
3-methyl-4-(nonan-2-ylamino)benzoic acid
CID 43736082
N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline
CID 63451061
2,5-diethoxy-N-hexan-2-ylaniline
CID 43759242
N-(3,3-dimethylbutyl)-2-methyl-4-propan-2-yloxyaniline
CID 63450883
2,4-dimethoxy-N-nonan-2-ylaniline
CID 43129720
3-chloro-2-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 62727955
5-amino-2-(hexan-2-ylamino)benzoic acid
CID 62200465
2-chloro-4-N-hexan-2-yl-5-methylbenzene-1,4-diamine
CID 115554851
3-methyl-4-(pentan-2-ylamino)benzoic acid
CID 43736098

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline?
The IUPAC name of N-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline (CID 63451236) is N-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline.
What is the SMILES notation for N-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline?
The canonical SMILES for N-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline is CCCCC(C)Nc1ccc(OC(C)C)cc1C.
What is the InChIKey of N-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline?
The InChIKey is RAXVFRDWQDCGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-7-8-14(5)17-16-10-9-15(11-13(16)4)18-12(2)3/h9-12,14,17H,6-8H2,1-5H3.
What are the key properties of N-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline?
N-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline has a molecular weight of 249.40 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline is sourced from PubChem (CID 63451236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).