4-(4-amino-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)aniline

C16H21N3O — CID 150567909

IUPAC4-(4-amino-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)aniline
SMILESNc1ccc(C2=CCC(N)(N3CCOCC3)C=C2)cc1
InChIInChI=1S/C16H21N3O/c17-15-3-1-13(2-4-15)14-5-7-16(18,8-6-14)19-9-11-20-12-10-19/h1-7H,8-12,17-18H2
InChIKeyILFFFMBYMJUNIM-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.60
Rot. Bonds2

About 4-(4-amino-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)aniline

4-(4-amino-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)aniline (PubChem CID 150567909) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(4-amino-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)aniline.

Molecular Properties

Compound Name4-(4-amino-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)aniline
PubChem CID150567909
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-(4-amino-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)aniline
SMILESNc1ccc(C2=CCC(N)(N3CCOCC3)C=C2)cc1
InChIInChI=1S/C16H21N3O/c17-15-3-1-13(2-4-15)14-5-7-16(18,8-6-14)19-9-11-20-12-10-19/h1-7H,8-12,17-18H2
InChIKeyILFFFMBYMJUNIM-UHFFFAOYSA-N
XLogP1.60
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)aniline?
The IUPAC name of 4-(4-amino-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)aniline (CID 150567909) is 4-(4-amino-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)aniline.
What is the SMILES notation for 4-(4-amino-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)aniline?
The canonical SMILES for 4-(4-amino-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)aniline is Nc1ccc(C2=CCC(N)(N3CCOCC3)C=C2)cc1.
What is the InChIKey of 4-(4-amino-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)aniline?
The InChIKey is ILFFFMBYMJUNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-15-3-1-13(2-4-15)14-5-7-16(18,8-6-14)19-9-11-20-12-10-19/h1-7H,8-12,17-18H2.
What are the key properties of 4-(4-amino-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)aniline?
4-(4-amino-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)aniline has a molecular weight of 271.36 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)aniline is sourced from PubChem (CID 150567909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).