2-N-phenyl-1-propan-2-ylcyclohexa-3,5-diene-1,2-diamine

C15H20N2 — CID 172709341

IUPAC2-N-phenyl-1-propan-2-ylcyclohexa-3,5-diene-1,2-diamine
SMILESCC(C)C1(N)C=CC=CC1Nc1ccccc1
InChIInChI=1S/C15H20N2/c1-12(2)15(16)11-7-6-10-14(15)17-13-8-4-3-5-9-13/h3-12,14,17H,16H2,1-2H3
InChIKeyFAMQJOUYPKRSFE-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.95
Rot. Bonds3

About 2-N-phenyl-1-propan-2-ylcyclohexa-3,5-diene-1,2-diamine

2-N-phenyl-1-propan-2-ylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 172709341) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-N-phenyl-1-propan-2-ylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name2-N-phenyl-1-propan-2-ylcyclohexa-3,5-diene-1,2-diamine
PubChem CID172709341
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-N-phenyl-1-propan-2-ylcyclohexa-3,5-diene-1,2-diamine
SMILESCC(C)C1(N)C=CC=CC1Nc1ccccc1
InChIInChI=1S/C15H20N2/c1-12(2)15(16)11-7-6-10-14(15)17-13-8-4-3-5-9-13/h3-12,14,17H,16H2,1-2H3
InChIKeyFAMQJOUYPKRSFE-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-1-propan-2-ylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 2-N-phenyl-1-propan-2-ylcyclohexa-3,5-diene-1,2-diamine (CID 172709341) is 2-N-phenyl-1-propan-2-ylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 2-N-phenyl-1-propan-2-ylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 2-N-phenyl-1-propan-2-ylcyclohexa-3,5-diene-1,2-diamine is CC(C)C1(N)C=CC=CC1Nc1ccccc1.
What is the InChIKey of 2-N-phenyl-1-propan-2-ylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is FAMQJOUYPKRSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12(2)15(16)11-7-6-10-14(15)17-13-8-4-3-5-9-13/h3-12,14,17H,16H2,1-2H3.
What are the key properties of 2-N-phenyl-1-propan-2-ylcyclohexa-3,5-diene-1,2-diamine?
2-N-phenyl-1-propan-2-ylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 228.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-1-propan-2-ylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 172709341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).