1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine

C17H27NO — CID 107177179

IUPAC1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)C2CCCC2(C)C)cc1
InChIInChI=1S/C17H27NO/c1-5-19-14-10-8-13(9-11-14)16(18-4)15-7-6-12-17(15,2)3/h8-11,15-16,18H,5-7,12H2,1-4H3
InChIKeyFCZVFJGXGMDCEV-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.17
Rot. Bonds5

About 1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine

1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine (PubChem CID 107177179) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
PubChem CID107177179
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)C2CCCC2(C)C)cc1
InChIInChI=1S/C17H27NO/c1-5-19-14-10-8-13(9-11-14)16(18-4)15-7-6-12-17(15,2)3/h8-11,15-16,18H,5-7,12H2,1-4H3
InChIKeyFCZVFJGXGMDCEV-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177171
(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine
CID 107176964
1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 107177921
N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191360
N-[(2,2-dimethylcyclopentyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177351
3-amino-1-(2,2-dimethylcyclopentyl)-2-(4-ethoxyphenyl)propan-1-ol
CID 107185333
1-(2,2-dimethylcyclopentyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 107188518
1-(2,2-dimethylcyclopentyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 107188705
N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79860500
1-(3-cyclopropyloxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107191377
N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177352
N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine
CID 107001090

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine (CID 107177179) is 1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine is CCOc1ccc(C(NC)C2CCCC2(C)C)cc1.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is FCZVFJGXGMDCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-19-14-10-8-13(9-11-14)16(18-4)15-7-6-12-17(15,2)3/h8-11,15-16,18H,5-7,12H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 261.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 107177179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).