N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline

C18H21NO2 — CID 43765565

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline
SMILESCOc1ccc(C(Nc2cccc(OC)c2)C2CC2)cc1
InChIInChI=1S/C18H21NO2/c1-20-16-10-8-14(9-11-16)18(13-6-7-13)19-15-4-3-5-17(12-15)21-2/h3-5,8-13,18-19H,6-7H2,1-2H3
InChIKeyWJGLSUZPJVCXHF-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.27
Rot. Bonds6

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline

N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline (PubChem CID 43765565) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline
PubChem CID43765565
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline
SMILESCOc1ccc(C(Nc2cccc(OC)c2)C2CC2)cc1
InChIInChI=1S/C18H21NO2/c1-20-16-10-8-14(9-11-16)18(13-6-7-13)19-15-4-3-5-17(12-15)21-2/h3-5,8-13,18-19H,6-7H2,1-2H3
InChIKeyWJGLSUZPJVCXHF-UHFFFAOYSA-N
XLogP4.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline
CID 43764004
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 43765997
N-(1-cyclopropylethyl)-3-methoxyaniline
CID 43196364
2,6-dichloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 65467984
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline
CID 43763348
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methoxy-2-methylaniline
CID 63477376
2,4-dibromo-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 43780879
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81381917

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline (CID 43765565) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline is COc1ccc(C(Nc2cccc(OC)c2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline?
The InChIKey is WJGLSUZPJVCXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-16-10-8-14(9-11-16)18(13-6-7-13)19-15-4-3-5-17(12-15)21-2/h3-5,8-13,18-19H,6-7H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline has a molecular weight of 283.37 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline is sourced from PubChem (CID 43765565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).