N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline

C14H21NO — CID 115920665

IUPACN-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline
SMILESCCOc1ccccc1NC(C)CC1CC1
InChIInChI=1S/C14H21NO/c1-3-16-14-7-5-4-6-13(14)15-11(2)10-12-8-9-12/h4-7,11-12,15H,3,8-10H2,1-2H3
InChIKeyRGDUPMQCOGFXJV-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.69
Rot. Bonds6

About N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline

N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline (PubChem CID 115920665) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline
PubChem CID115920665
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline
SMILESCCOc1ccccc1NC(C)CC1CC1
InChIInChI=1S/C14H21NO/c1-3-16-14-7-5-4-6-13(14)15-11(2)10-12-8-9-12/h4-7,11-12,15H,3,8-10H2,1-2H3
InChIKeyRGDUPMQCOGFXJV-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-2-propan-2-yloxyaniline
CID 115920688
N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline
CID 113489688
3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide
CID 115929140
2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540145
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline
CID 113489744
N-(1-cyclobutylpropan-2-yl)naphthalen-1-amine
CID 113489674
N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline
CID 54864889
2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539102
N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline
CID 115916601
2-(2-ethoxyanilino)-N-methylpropanamide
CID 43085473
2-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43191702

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline (CID 115920665) is N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline is CCOc1ccccc1NC(C)CC1CC1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline?
The InChIKey is RGDUPMQCOGFXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-16-14-7-5-4-6-13(14)15-11(2)10-12-8-9-12/h4-7,11-12,15H,3,8-10H2,1-2H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline?
N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline has a molecular weight of 219.33 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline is sourced from PubChem (CID 115920665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).