2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline

C13H19NO — CID 43173433

IUPAC2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline
SMILESCOc1ccccc1NC(C)C1(C)CC1
InChIInChI=1S/C13H19NO/c1-10(13(2)8-9-13)14-11-6-4-5-7-12(11)15-3/h4-7,10,14H,8-9H2,1-3H3
InChIKeyZKPBTROIUVTDRT-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.30
Rot. Bonds4

About 2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline

2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline (PubChem CID 43173433) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline
PubChem CID43173433
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline
SMILESCOc1ccccc1NC(C)C1(C)CC1
InChIInChI=1S/C13H19NO/c1-10(13(2)8-9-13)14-11-6-4-5-7-12(11)15-3/h4-7,10,14H,8-9H2,1-3H3
InChIKeyZKPBTROIUVTDRT-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43363161
2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43173505
(1R)-1-(2-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
CID 81397646
4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43173439
2,3-difluoro-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 61076984
2-N-(2-methoxyphenyl)propane-1,2-diamine
CID 65383995
N-methyl-2-[2-[1-(1-methylcyclopropyl)ethylamino]phenyl]acetamide
CID 43692229
2-methoxy-N-[1-(2-methylphenyl)ethyl]aniline
CID 43191325
methyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890361
N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline
CID 43757793
(2S)-2-(2-methoxyanilino)-3-methylbutanoic acid
CID 15383895
N-[1-(1-methylcyclopropyl)ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 43675505

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The IUPAC name of 2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline (CID 43173433) is 2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline.
What is the SMILES notation for 2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The canonical SMILES for 2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline is COc1ccccc1NC(C)C1(C)CC1.
What is the InChIKey of 2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The InChIKey is ZKPBTROIUVTDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(13(2)8-9-13)14-11-6-4-5-7-12(11)15-3/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of 2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline?
2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline has a molecular weight of 205.30 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline is sourced from PubChem (CID 43173433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).