N-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline

C19H26N2O2 — CID 83961553

IUPACN-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline
SMILESCCCOc1ccc(NCc2ccc(N)cc2)cc1OCCC
InChIInChI=1S/C19H26N2O2/c1-3-11-22-18-10-9-17(13-19(18)23-12-4-2)21-14-15-5-7-16(20)8-6-15/h5-10,13,21H,3-4,11-12,14,20H2,1-2H3
InChIKeyGCCFJHDTUOUYES-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.46
Rot. Bonds9

About N-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline

N-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline (PubChem CID 83961553) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline
PubChem CID83961553
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline
SMILESCCCOc1ccc(NCc2ccc(N)cc2)cc1OCCC
InChIInChI=1S/C19H26N2O2/c1-3-11-22-18-10-9-17(13-19(18)23-12-4-2)21-14-15-5-7-16(20)8-6-15/h5-10,13,21H,3-4,11-12,14,20H2,1-2H3
InChIKeyGCCFJHDTUOUYES-UHFFFAOYSA-N
XLogP4.46
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-[(4-chlorophenyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63671606
N-butyl-3,4-dipropoxyaniline
CID 83961551
4-(3,4-dipropoxyphenyl)aniline
CID 61026286
N-[(4-aminophenyl)methyl]-3-ethoxy-4-(trifluoromethyl)aniline
CID 59231405
2-(3,4-dipropoxyanilino)ethanethiol
CID 83961561
3-chloro-N-[(3,5-dimethylphenyl)methyl]-4-propoxyaniline
CID 63451065
N-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline
CID 83961565
3-chloro-N-[(4-methylsulfanylphenyl)methyl]-4-propoxyaniline
CID 63450802
3-[(3-ethoxy-4-propoxyphenyl)methylamino]phenol
CID 82531193
3-chloro-4-propoxy-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66409189
4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
CID 59230081
4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide
CID 29216719

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline?
The IUPAC name of N-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline (CID 83961553) is N-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline is CCCOc1ccc(NCc2ccc(N)cc2)cc1OCCC.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline?
The InChIKey is GCCFJHDTUOUYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-11-22-18-10-9-17(13-19(18)23-12-4-2)21-14-15-5-7-16(20)8-6-15/h5-10,13,21H,3-4,11-12,14,20H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline?
N-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline has a molecular weight of 314.43 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline is sourced from PubChem (CID 83961553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).