4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline

C19H25NO2 — CID 39422587

IUPAC4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccccc1CNc1ccc(OC(C)C)cc1
InChIInChI=1S/C19H25NO2/c1-4-13-21-19-8-6-5-7-16(19)14-20-17-9-11-18(12-10-17)22-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3
InChIKeyBOEADOJRWVIXOP-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.87
Rot. Bonds8

About 4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline

4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline (PubChem CID 39422587) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline
PubChem CID39422587
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccccc1CNc1ccc(OC(C)C)cc1
InChIInChI=1S/C19H25NO2/c1-4-13-21-19-8-6-5-7-16(19)14-20-17-9-11-18(12-10-17)22-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3
InChIKeyBOEADOJRWVIXOP-UHFFFAOYSA-N
XLogP4.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.87
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-hexoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 54799867
4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline
CID 39386882
4-methyl-N-[(2-propoxyphenyl)methyl]aniline
CID 39357777
4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54799789
4-heptoxy-N-[(2-pentoxyphenyl)methyl]aniline
CID 54799636
N-[(2-butoxyphenyl)methyl]-4-tert-butylaniline
CID 39451770
N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline
CID 43769045
4-fluoro-N-[(2-pentoxyphenyl)methyl]aniline
CID 54796466
N-[(2-hexoxyphenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 54799770
N-[(2-pentoxyphenyl)methyl]-4-phenylmethoxyaniline
CID 54799405
4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54796330
N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline
CID 43693650

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline?
The IUPAC name of 4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline (CID 39422587) is 4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline?
The canonical SMILES for 4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline is CCCOc1ccccc1CNc1ccc(OC(C)C)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline?
The InChIKey is BOEADOJRWVIXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-13-21-19-8-6-5-7-16(19)14-20-17-9-11-18(12-10-17)22-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3.
What are the key properties of 4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline?
4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline has a molecular weight of 299.41 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline is sourced from PubChem (CID 39422587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).