2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine

C15H19N — CID 145073957

IUPAC2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(C2C=CC=CC2)cc1
InChIInChI=1S/C15H19N/c1-15(2,16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-6,8-12H,7,16H2,1-2H3
InChIKeyDREZRPVMMKGVQA-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.48
Rot. Bonds2

About 2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine

2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine (PubChem CID 145073957) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine
PubChem CID145073957
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(C2C=CC=CC2)cc1
InChIInChI=1S/C15H19N/c1-15(2,16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-6,8-12H,7,16H2,1-2H3
InChIKeyDREZRPVMMKGVQA-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexa-2,4-dien-1-yl-4-methylbenzene
CID 13139021
(4-cyclohexa-2,4-dien-1-ylphenyl)-methylazanium
CID 145025036
4-cyclohexa-2,4-dien-1-ylbenzamide
CID 154350232
4-cyclohexa-2,4-dien-1-ylpyridine
CID 141178072
3-(4-tert-butylphenyl)-5-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-1,2,4-triazole
CID 126683039
2-[4-(thietan-3-yl)phenyl]propan-2-amine
CID 117296889
2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117335176
2-chloro-5-cyclohexa-2,4-dien-1-ylpyrimidine
CID 123707586
4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene
CID 101147961
2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine
CID 89089279
3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine?
The IUPAC name of 2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine (CID 145073957) is 2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine.
What is the SMILES notation for 2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine?
The canonical SMILES for 2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine is CC(C)(N)c1ccc(C2C=CC=CC2)cc1.
What is the InChIKey of 2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine?
The InChIKey is DREZRPVMMKGVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-15(2,16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-6,8-12H,7,16H2,1-2H3.
What are the key properties of 2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine?
2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine has a molecular weight of 213.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine is sourced from PubChem (CID 145073957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).