N-(dicyclopropylmethyl)-3,5-dimethoxyaniline

C15H21NO2 — CID 43173321

IUPACN-(dicyclopropylmethyl)-3,5-dimethoxyaniline
SMILESCOc1cc(NC(C2CC2)C2CC2)cc(OC)c1
InChIInChI=1S/C15H21NO2/c1-17-13-7-12(8-14(9-13)18-2)16-15(10-3-4-10)11-5-6-11/h7-11,15-16H,3-6H2,1-2H3
InChIKeyGQVVSLUABZABLB-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.30
Rot. Bonds6

About N-(dicyclopropylmethyl)-3,5-dimethoxyaniline

N-(dicyclopropylmethyl)-3,5-dimethoxyaniline (PubChem CID 43173321) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3,5-dimethoxyaniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3,5-dimethoxyaniline
PubChem CID43173321
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(dicyclopropylmethyl)-3,5-dimethoxyaniline
SMILESCOc1cc(NC(C2CC2)C2CC2)cc(OC)c1
InChIInChI=1S/C15H21NO2/c1-17-13-7-12(8-14(9-13)18-2)16-15(10-3-4-10)11-5-6-11/h7-11,15-16H,3-6H2,1-2H3
InChIKeyGQVVSLUABZABLB-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopentylethyl)-3,5-dimethoxyaniline
CID 62632607
2-(3-bromo-5-methoxyanilino)-2-cyclopropylacetic acid
CID 103262074
N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
CID 43173366
N-(dicyclopropylmethyl)-3-fluoro-5-methylaniline
CID 79054393
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline
CID 43764004
N-(1-cyclopropylethyl)-3-methoxyaniline
CID 43196364
3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560756
N-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline
CID 28531809
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline
CID 43765565
2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one
CID 115785456
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline
CID 43307671
5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline
CID 43362759

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3,5-dimethoxyaniline?
The IUPAC name of N-(dicyclopropylmethyl)-3,5-dimethoxyaniline (CID 43173321) is N-(dicyclopropylmethyl)-3,5-dimethoxyaniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-3,5-dimethoxyaniline?
The canonical SMILES for N-(dicyclopropylmethyl)-3,5-dimethoxyaniline is COc1cc(NC(C2CC2)C2CC2)cc(OC)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-3,5-dimethoxyaniline?
The InChIKey is GQVVSLUABZABLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-13-7-12(8-14(9-13)18-2)16-15(10-3-4-10)11-5-6-11/h7-11,15-16H,3-6H2,1-2H3.
What are the key properties of N-(dicyclopropylmethyl)-3,5-dimethoxyaniline?
N-(dicyclopropylmethyl)-3,5-dimethoxyaniline has a molecular weight of 247.34 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3,5-dimethoxyaniline is sourced from PubChem (CID 43173321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).