N-[1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethyl]aniline

C23H27N — CID 154499955

IUPACN-[1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethyl]aniline
SMILESCC1=C(C)C(c2ccccc2C(C)Nc2ccccc2)C(C)=C1C
InChIInChI=1S/C23H27N/c1-15-16(2)18(4)23(17(15)3)22-14-10-9-13-21(22)19(5)24-20-11-7-6-8-12-20/h6-14,19,23-24H,1-5H3
InChIKeyFERSMHXPPWEYJX-UHFFFAOYSA-N
MW317.48 g/mol
LogP6.63
Rot. Bonds4

About N-[1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethyl]aniline

N-[1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethyl]aniline (PubChem CID 154499955) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethyl]aniline.

Molecular Properties

Compound NameN-[1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethyl]aniline
PubChem CID154499955
Molecular FormulaC23H27N
Molecular Weight317.48 g/mol
Exact Mass317.21
IUPAC NameN-[1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethyl]aniline
SMILESCC1=C(C)C(c2ccccc2C(C)Nc2ccccc2)C(C)=C1C
InChIInChI=1S/C23H27N/c1-15-16(2)18(4)23(17(15)3)22-14-10-9-13-21(22)19(5)24-20-11-7-6-8-12-20/h6-14,19,23-24H,1-5H3
InChIKeyFERSMHXPPWEYJX-UHFFFAOYSA-N
XLogP6.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethyl]aniline?
The IUPAC name of N-[1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethyl]aniline (CID 154499955) is N-[1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethyl]aniline.
What is the SMILES notation for N-[1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethyl]aniline?
The canonical SMILES for N-[1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethyl]aniline is CC1=C(C)C(c2ccccc2C(C)Nc2ccccc2)C(C)=C1C.
What is the InChIKey of N-[1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethyl]aniline?
The InChIKey is FERSMHXPPWEYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N/c1-15-16(2)18(4)23(17(15)3)22-14-10-9-13-21(22)19(5)24-20-11-7-6-8-12-20/h6-14,19,23-24H,1-5H3.
What are the key properties of N-[1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethyl]aniline?
N-[1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethyl]aniline has a molecular weight of 317.48 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethyl]aniline is sourced from PubChem (CID 154499955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).