N-(2-methylpropyl)-2-propoxyaniline

C13H21NO — CID 43682255

IUPACN-(2-methylpropyl)-2-propoxyaniline
SMILESCCCOc1ccccc1NCC(C)C
InChIInChI=1S/C13H21NO/c1-4-9-15-13-8-6-5-7-12(13)14-10-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyJDVRXLVVNPFXBT-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.54
Rot. Bonds6

About N-(2-methylpropyl)-2-propoxyaniline

N-(2-methylpropyl)-2-propoxyaniline (PubChem CID 43682255) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-propoxyaniline.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-propoxyaniline
PubChem CID43682255
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-(2-methylpropyl)-2-propoxyaniline
SMILESCCCOc1ccccc1NCC(C)C
InChIInChI=1S/C13H21NO/c1-4-9-15-13-8-6-5-7-12(13)14-10-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyJDVRXLVVNPFXBT-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylbutyl)-2-propoxyaniline
CID 43682211
N-(1,1-difluoropropan-2-yl)-2-propoxyaniline
CID 102868377
N-(3,3-dimethylbutyl)-2-propoxyaniline
CID 63427056
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
N-(1-methoxypropan-2-yl)-2-propoxyaniline
CID 62534500
3-(2-butoxyanilino)propane-1,2-diol
CID 168594733
2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol
CID 81414196
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800
N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline
CID 62346504
2-amino-2-methyl-N-(2-propoxyphenyl)propanamide
CID 61265402
1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea
CID 111452855

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-propoxyaniline?
The IUPAC name of N-(2-methylpropyl)-2-propoxyaniline (CID 43682255) is N-(2-methylpropyl)-2-propoxyaniline.
What is the SMILES notation for N-(2-methylpropyl)-2-propoxyaniline?
The canonical SMILES for N-(2-methylpropyl)-2-propoxyaniline is CCCOc1ccccc1NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-propoxyaniline?
The InChIKey is JDVRXLVVNPFXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-9-15-13-8-6-5-7-12(13)14-10-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-2-propoxyaniline?
N-(2-methylpropyl)-2-propoxyaniline has a molecular weight of 207.32 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-propoxyaniline is sourced from PubChem (CID 43682255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).