N-[2-(2-cyclopenta-1,3-dien-1-ylphenyl)propan-2-yl]aniline

C20H21N — CID 68546854

IUPACN-[2-(2-cyclopenta-1,3-dien-1-ylphenyl)propan-2-yl]aniline
SMILESCC(C)(Nc1ccccc1)c1ccccc1C1=CC=CC1
InChIInChI=1S/C20H21N/c1-20(2,21-17-12-4-3-5-13-17)19-15-9-8-14-18(19)16-10-6-7-11-16/h3-10,12-15,21H,11H2,1-2H3
InChIKeyDPBUMNMXRFPSFY-UHFFFAOYSA-N
MW275.40 g/mol
LogP5.38
Rot. Bonds4

About N-[2-(2-cyclopenta-1,3-dien-1-ylphenyl)propan-2-yl]aniline

N-[2-(2-cyclopenta-1,3-dien-1-ylphenyl)propan-2-yl]aniline (PubChem CID 68546854) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[2-(2-cyclopenta-1,3-dien-1-ylphenyl)propan-2-yl]aniline.

Molecular Properties

Compound NameN-[2-(2-cyclopenta-1,3-dien-1-ylphenyl)propan-2-yl]aniline
PubChem CID68546854
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC NameN-[2-(2-cyclopenta-1,3-dien-1-ylphenyl)propan-2-yl]aniline
SMILESCC(C)(Nc1ccccc1)c1ccccc1C1=CC=CC1
InChIInChI=1S/C20H21N/c1-20(2,21-17-12-4-3-5-13-17)19-15-9-8-14-18(19)16-10-6-7-11-16/h3-10,12-15,21H,11H2,1-2H3
InChIKeyDPBUMNMXRFPSFY-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.40
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopenta-1,3-dien-1-ylphenyl)propan-2-yl]aniline?
The IUPAC name of N-[2-(2-cyclopenta-1,3-dien-1-ylphenyl)propan-2-yl]aniline (CID 68546854) is N-[2-(2-cyclopenta-1,3-dien-1-ylphenyl)propan-2-yl]aniline.
What is the SMILES notation for N-[2-(2-cyclopenta-1,3-dien-1-ylphenyl)propan-2-yl]aniline?
The canonical SMILES for N-[2-(2-cyclopenta-1,3-dien-1-ylphenyl)propan-2-yl]aniline is CC(C)(Nc1ccccc1)c1ccccc1C1=CC=CC1.
What is the InChIKey of N-[2-(2-cyclopenta-1,3-dien-1-ylphenyl)propan-2-yl]aniline?
The InChIKey is DPBUMNMXRFPSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-20(2,21-17-12-4-3-5-13-17)19-15-9-8-14-18(19)16-10-6-7-11-16/h3-10,12-15,21H,11H2,1-2H3.
What are the key properties of N-[2-(2-cyclopenta-1,3-dien-1-ylphenyl)propan-2-yl]aniline?
N-[2-(2-cyclopenta-1,3-dien-1-ylphenyl)propan-2-yl]aniline has a molecular weight of 275.40 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopenta-1,3-dien-1-ylphenyl)propan-2-yl]aniline is sourced from PubChem (CID 68546854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).