4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline

C19H19N3O — CID 57089892

IUPAC4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline
SMILESNc1ccc(OC(c2ccc(N)cc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C19H19N3O/c20-15-5-1-13(2-6-15)19(14-3-7-16(21)8-4-14)23-18-11-9-17(22)10-12-18/h1-12,19H,20-22H2
InChIKeyUSRANQLYXQJTHG-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.60
Rot. Bonds4

About 4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline

4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline (PubChem CID 57089892) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline.

Molecular Properties

Compound Name4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline
PubChem CID57089892
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline
SMILESNc1ccc(OC(c2ccc(N)cc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C19H19N3O/c20-15-5-1-13(2-6-15)19(14-3-7-16(21)8-4-14)23-18-11-9-17(22)10-12-18/h1-12,19H,20-22H2
InChIKeyUSRANQLYXQJTHG-UHFFFAOYSA-N
XLogP3.60
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)aniline
CID 737363
4-(1-phenoxyethyl)aniline
CID 61262602
4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline
CID 70667408
4-[4-(difluoromethoxy)phenoxy]aniline
CID 71414941
4-[[(4-aminophenyl)-phenoxymethyl]sulfanyl-phenoxymethyl]aniline
CID 69079297
4-(4-aminophenoxy)aniline
CID 161415647
4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline
CID 162519931
4-[1-(4-methoxyphenyl)ethyl]aniline
CID 11644284
4-butan-2-yloxyaniline
CID 13097722
4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide
CID 86790597
4-(1,3-dimethoxypropan-2-yloxy)aniline
CID 129353732
4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline
CID 66580012

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline?
The IUPAC name of 4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline (CID 57089892) is 4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline.
What is the SMILES notation for 4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline?
The canonical SMILES for 4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline is Nc1ccc(OC(c2ccc(N)cc2)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline?
The InChIKey is USRANQLYXQJTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c20-15-5-1-13(2-6-15)19(14-3-7-16(21)8-4-14)23-18-11-9-17(22)10-12-18/h1-12,19H,20-22H2.
What are the key properties of 4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline?
4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline has a molecular weight of 305.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline is sourced from PubChem (CID 57089892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).