2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine

C19H31N — CID 114457580

IUPAC2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(CC1CCCCCC1)c1cc(C)ccc1C
InChIInChI=1S/C19H31N/c1-4-20-19(14-17-9-7-5-6-8-10-17)18-13-15(2)11-12-16(18)3/h11-13,17,19-20H,4-10,14H2,1-3H3
InChIKeyVHTCPWJJNCCYGQ-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.31
Rot. Bonds5

About 2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine

2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine (PubChem CID 114457580) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
PubChem CID114457580
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(CC1CCCCCC1)c1cc(C)ccc1C
InChIInChI=1S/C19H31N/c1-4-20-19(14-17-9-7-5-6-8-10-17)18-13-15(2)11-12-16(18)3/h11-13,17,19-20H,4-10,14H2,1-3H3
InChIKeyVHTCPWJJNCCYGQ-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115842003
2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 114457630
2-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-ethylethanamine
CID 63505858
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145
1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 106857386
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608
1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986405
2-cycloheptyl-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115850456
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846995
N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 115863518
2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 102758480

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine (CID 114457580) is 2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine is CCNC(CC1CCCCCC1)c1cc(C)ccc1C.
What is the InChIKey of 2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine?
The InChIKey is VHTCPWJJNCCYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-20-19(14-17-9-7-5-6-8-10-17)18-13-15(2)11-12-16(18)3/h11-13,17,19-20H,4-10,14H2,1-3H3.
What are the key properties of 2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine?
2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine has a molecular weight of 273.46 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 114457580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).