1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

C19H31N — CID 107188347

IUPAC1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)C1CCCC1(C)C
InChIInChI=1S/C19H31N/c1-14(2)16-10-8-15(9-11-16)13-18(20-5)17-7-6-12-19(17,3)4/h8-11,14,17-18,20H,6-7,12-13H2,1-5H3
InChIKeyVAUMHWAPFAMCJN-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.77
Rot. Bonds5

About 1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 107188347) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID107188347
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)C1CCCC1(C)C
InChIInChI=1S/C19H31N/c1-14(2)16-10-8-15(9-11-16)13-18(20-5)17-7-6-12-19(17,3)4/h8-11,14,17-18,20H,6-7,12-13H2,1-5H3
InChIKeyVAUMHWAPFAMCJN-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107004322
1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 107179500
1-cyclohexyl-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63413394
2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107892144
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188272
2-(3-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107188023
N-methyl-1-(2-methylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 107188350
[1-(2,2-dimethylcyclopentyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 107193293
1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene
CID 107181911
1-(2,2-dimethylcyclopentyl)-N-methyl-2-thiophen-2-ylethanamine
CID 107179492
1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine
CID 107187759
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 79857076

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (CID 107188347) is 1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is CNC(Cc1ccc(C(C)C)cc1)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is VAUMHWAPFAMCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-14(2)16-10-8-15(9-11-16)13-18(20-5)17-7-6-12-19(17,3)4/h8-11,14,17-18,20H,6-7,12-13H2,1-5H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 273.46 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 107188347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).