N-(1-cyclopropylethyl)-3-methoxyaniline

C12H17NO — CID 43196364

IUPACN-(1-cyclopropylethyl)-3-methoxyaniline
SMILESCOc1cccc(NC(C)C2CC2)c1
InChIInChI=1S/C12H17NO/c1-9(10-6-7-10)13-11-4-3-5-12(8-11)14-2/h3-5,8-10,13H,6-7H2,1-2H3
InChIKeyLMLAKZHVCOPQGO-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.91
Rot. Bonds4

About N-(1-cyclopropylethyl)-3-methoxyaniline

N-(1-cyclopropylethyl)-3-methoxyaniline (PubChem CID 43196364) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-methoxyaniline.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-methoxyaniline
PubChem CID43196364
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(1-cyclopropylethyl)-3-methoxyaniline
SMILESCOc1cccc(NC(C)C2CC2)c1
InChIInChI=1S/C12H17NO/c1-9(10-6-7-10)13-11-4-3-5-12(8-11)14-2/h3-5,8-10,13H,6-7H2,1-2H3
InChIKeyLMLAKZHVCOPQGO-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline
CID 43765565
N-(1-cyclopentylethyl)-3,5-dimethoxyaniline
CID 62632607
N-(1-cyclopropylethyl)-3-ethylaniline
CID 43196050
3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 43698690
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methoxyaniline
CID 143680816
3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125
N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline
CID 101388874
2-[3-(1-cyclopentylethylamino)phenoxy]acetamide
CID 62632459
N-[3-(1-cyclopropylethylamino)phenyl]-2-methoxyacetamide
CID 43713200
2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol
CID 62392316
3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline
CID 68822883

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-methoxyaniline?
The IUPAC name of N-(1-cyclopropylethyl)-3-methoxyaniline (CID 43196364) is N-(1-cyclopropylethyl)-3-methoxyaniline.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-methoxyaniline?
The canonical SMILES for N-(1-cyclopropylethyl)-3-methoxyaniline is COc1cccc(NC(C)C2CC2)c1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-methoxyaniline?
The InChIKey is LMLAKZHVCOPQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(10-6-7-10)13-11-4-3-5-12(8-11)14-2/h3-5,8-10,13H,6-7H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-3-methoxyaniline?
N-(1-cyclopropylethyl)-3-methoxyaniline has a molecular weight of 191.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-methoxyaniline is sourced from PubChem (CID 43196364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).