2-methyl-N-[1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]propan-2-amine

C20H29N — CID 23014961

IUPAC2-methyl-N-[1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]propan-2-amine
SMILESCC1=C(C)C(C)=C(c2ccccc2C(C)NC(C)(C)C)C1
InChIInChI=1S/C20H29N/c1-13-12-19(15(3)14(13)2)18-11-9-8-10-17(18)16(4)21-20(5,6)7/h8-11,16,21H,12H2,1-7H3
InChIKeyVMRWFAALYDAHHY-UHFFFAOYSA-N
MW283.46 g/mol
LogP5.65
Rot. Bonds3

About 2-methyl-N-[1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]propan-2-amine

2-methyl-N-[1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]propan-2-amine (PubChem CID 23014961) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]propan-2-amine
PubChem CID23014961
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name2-methyl-N-[1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]propan-2-amine
SMILESCC1=C(C)C(C)=C(c2ccccc2C(C)NC(C)(C)C)C1
InChIInChI=1S/C20H29N/c1-13-12-19(15(3)14(13)2)18-11-9-8-10-17(18)16(4)21-20(5,6)7/h8-11,16,21H,12H2,1-7H3
InChIKeyVMRWFAALYDAHHY-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]propan-2-amine (CID 23014961) is 2-methyl-N-[1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]propan-2-amine is CC1=C(C)C(C)=C(c2ccccc2C(C)NC(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]propan-2-amine?
The InChIKey is VMRWFAALYDAHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-13-12-19(15(3)14(13)2)18-11-9-8-10-17(18)16(4)21-20(5,6)7/h8-11,16,21H,12H2,1-7H3.
What are the key properties of 2-methyl-N-[1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]propan-2-amine?
2-methyl-N-[1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]propan-2-amine has a molecular weight of 283.46 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 23014961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).