4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline

C18H18N2 — CID 97303996

IUPAC4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline
SMILESNc1ccc(C2=CC[C@](N)(c3ccccc3)C=C2)cc1
InChIInChI=1S/C18H18N2/c19-17-8-6-14(7-9-17)15-10-12-18(20,13-11-15)16-4-2-1-3-5-16/h1-12H,13,19-20H2/t18-/m0/s1
InChIKeyQQWWWAQUMVHHQN-SFHVURJKSA-N
MW262.36 g/mol
LogP3.47
Rot. Bonds2

About 4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline

4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline (PubChem CID 97303996) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline.

Molecular Properties

Compound Name4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline
PubChem CID97303996
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline
SMILESNc1ccc(C2=CC[C@](N)(c3ccccc3)C=C2)cc1
InChIInChI=1S/C18H18N2/c19-17-8-6-14(7-9-17)15-10-12-18(20,13-11-15)16-4-2-1-3-5-16/h1-12H,13,19-20H2/t18-/m0/s1
InChIKeyQQWWWAQUMVHHQN-SFHVURJKSA-N
XLogP3.47
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline?
The IUPAC name of 4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline (CID 97303996) is 4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline.
What is the SMILES notation for 4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline?
The canonical SMILES for 4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline is Nc1ccc(C2=CC[C@](N)(c3ccccc3)C=C2)cc1.
What is the InChIKey of 4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline?
The InChIKey is QQWWWAQUMVHHQN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18N2/c19-17-8-6-14(7-9-17)15-10-12-18(20,13-11-15)16-4-2-1-3-5-16/h1-12H,13,19-20H2/t18-/m0/s1.
What are the key properties of 4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline?
4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline has a molecular weight of 262.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline is sourced from PubChem (CID 97303996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).