N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline

C18H21NO — CID 79979514

IUPACN-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline
SMILESCCOc1cccc(NCc2ccccc2C2CC2)c1
InChIInChI=1S/C18H21NO/c1-2-20-17-8-5-7-16(12-17)19-13-15-6-3-4-9-18(15)14-10-11-14/h3-9,12,14,19H,2,10-11,13H2,1H3
InChIKeyWFSNHRUCCIMNQG-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.57
Rot. Bonds6

About N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline

N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline (PubChem CID 79979514) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline
PubChem CID79979514
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline
SMILESCCOc1cccc(NCc2ccccc2C2CC2)c1
InChIInChI=1S/C18H21NO/c1-2-20-17-8-5-7-16(12-17)19-13-15-6-3-4-9-18(15)14-10-11-14/h3-9,12,14,19H,2,10-11,13H2,1H3
InChIKeyWFSNHRUCCIMNQG-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-3-ethoxyaniline
CID 54865434
3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
3-[(3-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319719
N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline
CID 43693650
N-tert-butyl-3-ethoxyaniline
CID 58745523
N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960
3-ethoxy-N-propylaniline
CID 54800867
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline
CID 79220930
N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808097
N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline
CID 79979547
3-ethoxy-N-(pyridin-4-ylmethyl)aniline
CID 54864999
N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 79884045

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline (CID 79979514) is N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline is CCOc1cccc(NCc2ccccc2C2CC2)c1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline?
The InChIKey is WFSNHRUCCIMNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-20-17-8-5-7-16(12-17)19-13-15-6-3-4-9-18(15)14-10-11-14/h3-9,12,14,19H,2,10-11,13H2,1H3.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline?
N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline has a molecular weight of 267.37 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline is sourced from PubChem (CID 79979514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).