2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine

C20H33N — CID 114457480

IUPAC2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
SMILESCc1c(C)c(C)c(C(N)CC2CCCCCC2)c(C)c1C
InChIInChI=1S/C20H33N/c1-13-14(2)16(4)20(17(5)15(13)3)19(21)12-18-10-8-6-7-9-11-18/h18-19H,6-12,21H2,1-5H3
InChIKeyBISGRZMUDHOWKX-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.59
Rot. Bonds3

About 2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine

2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine (PubChem CID 114457480) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
PubChem CID114457480
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
SMILESCc1c(C)c(C)c(C(N)CC2CCCCCC2)c(C)c1C
InChIInChI=1S/C20H33N/c1-13-14(2)16(4)20(17(5)15(13)3)19(21)12-18-10-8-6-7-9-11-18/h18-19H,6-12,21H2,1-5H3
InChIKeyBISGRZMUDHOWKX-UHFFFAOYSA-N
XLogP5.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883593
2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 43104806
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102841282
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515963
2-cycloheptyl-1-phenylethanamine
CID 21261900
2-cyclobutyl-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
CID 103162796
1-(1-chloro-3-cyclohexylpropyl)-2,3,4,5,6-pentamethylbenzene
CID 63429879
2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine
CID 81473835
2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299332
2-cyclopentyl-1-(5-methylpyrazin-2-yl)ethanamine
CID 105139032
1-(4-tert-butylphenyl)-2-cycloheptylethanamine
CID 114457473

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine?
The IUPAC name of 2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine (CID 114457480) is 2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine?
The canonical SMILES for 2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine is Cc1c(C)c(C)c(C(N)CC2CCCCCC2)c(C)c1C.
What is the InChIKey of 2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine?
The InChIKey is BISGRZMUDHOWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-13-14(2)16(4)20(17(5)15(13)3)19(21)12-18-10-8-6-7-9-11-18/h18-19H,6-12,21H2,1-5H3.
What are the key properties of 2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine?
2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine is sourced from PubChem (CID 114457480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).