N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline

C18H23NO2 — CID 62327636

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline
SMILESCCCOc1ccc(NCc2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H23NO2/c1-4-11-21-17-8-6-16(7-9-17)19-13-15-12-14(2)5-10-18(15)20-3/h5-10,12,19H,4,11,13H2,1-3H3
InChIKeyVCGOLWXOIVAXQR-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.40
Rot. Bonds7

About N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline

N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline (PubChem CID 62327636) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline
PubChem CID62327636
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline
SMILESCCCOc1ccc(NCc2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H23NO2/c1-4-11-21-17-8-6-16(7-9-17)19-13-15-12-14(2)5-10-18(15)20-3/h5-10,12,19H,4,11,13H2,1-3H3
InChIKeyVCGOLWXOIVAXQR-UHFFFAOYSA-N
XLogP4.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline
CID 63476952
4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408473
N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline
CID 43765740
N-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline
CID 105370985
6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
CID 103934347
4-[(2-methoxy-5-methylphenyl)methylamino]benzamide
CID 43408573
1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine
CID 62797291
3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
CID 107582097
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54799789

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline (CID 62327636) is N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline is CCCOc1ccc(NCc2cc(C)ccc2OC)cc1.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline?
The InChIKey is VCGOLWXOIVAXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-11-21-17-8-6-16(7-9-17)19-13-15-12-14(2)5-10-18(15)20-3/h5-10,12,19H,4,11,13H2,1-3H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline?
N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline has a molecular weight of 285.39 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline is sourced from PubChem (CID 62327636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).