N-(3,3-dimethylbutyl)-2-propoxyaniline

C15H25NO — CID 63427056

IUPACN-(3,3-dimethylbutyl)-2-propoxyaniline
SMILESCCCOc1ccccc1NCCC(C)(C)C
InChIInChI=1S/C15H25NO/c1-5-12-17-14-9-7-6-8-13(14)16-11-10-15(2,3)4/h6-9,16H,5,10-12H2,1-4H3
InChIKeyLPSPXLITNFZQED-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.32
Rot. Bonds6

About N-(3,3-dimethylbutyl)-2-propoxyaniline

N-(3,3-dimethylbutyl)-2-propoxyaniline (PubChem CID 63427056) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-propoxyaniline.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-propoxyaniline
PubChem CID63427056
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(3,3-dimethylbutyl)-2-propoxyaniline
SMILESCCCOc1ccccc1NCCC(C)(C)C
InChIInChI=1S/C15H25NO/c1-5-12-17-14-9-7-6-8-13(14)16-11-10-15(2,3)4/h6-9,16H,5,10-12H2,1-4H3
InChIKeyLPSPXLITNFZQED-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-methyl-N-(2-propoxyphenyl)propanamide
CID 61265402
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol
CID 81414196
4-(2-ethoxyanilino)-2-methylbutan-2-ol
CID 79359575
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800
N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808133
N-(2-methylbutyl)-2-propoxyaniline
CID 43682211
2-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671
4-(2-butoxyanilino)butan-1-ol
CID 54803446
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline
CID 62346504

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-propoxyaniline?
The IUPAC name of N-(3,3-dimethylbutyl)-2-propoxyaniline (CID 63427056) is N-(3,3-dimethylbutyl)-2-propoxyaniline.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-propoxyaniline?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-propoxyaniline is CCCOc1ccccc1NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-propoxyaniline?
The InChIKey is LPSPXLITNFZQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-12-17-14-9-7-6-8-13(14)16-11-10-15(2,3)4/h6-9,16H,5,10-12H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-2-propoxyaniline?
N-(3,3-dimethylbutyl)-2-propoxyaniline has a molecular weight of 235.37 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-propoxyaniline is sourced from PubChem (CID 63427056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).