[1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol

C15H21Cl2NO — CID 79135807

IUPAC[1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H21Cl2NO/c1-2-10-6-7-15(8-10,9-18)14(19)13-11(16)4-3-5-12(13)17/h3-5,10,14,19H,2,6-9,18H2,1H3
InChIKeyNXYBNDYQCXWWDL-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.18
Rot. Bonds4

About [1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol

[1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol (PubChem CID 79135807) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is [1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol
PubChem CID79135807
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name[1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H21Cl2NO/c1-2-10-6-7-15(8-10,9-18)14(19)13-11(16)4-3-5-12(13)17/h3-5,10,14,19H,2,6-9,18H2,1H3
InChIKeyNXYBNDYQCXWWDL-UHFFFAOYSA-N
XLogP4.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol
CID 79134806
[1-(aminomethyl)-3-ethylcyclopentyl]-(2-chloro-6-fluorophenyl)methanol
CID 79135009
[1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol
CID 79138325
[1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol
CID 79135103
[1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol
CID 83241847
[1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol
CID 79977381
[1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol
CID 79137517
[1-(aminomethyl)-3-ethylcyclopentyl]-(3,5-dichlorophenyl)methanol
CID 79138188
[1-(aminomethyl)-3-ethylcyclopentyl]-(3-chloro-4-fluorophenyl)methanol
CID 81157099
[1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol
CID 79138474
[1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol
CID 79123387
[1-(aminomethyl)-3-ethylcyclopentyl]-(5-bromofuran-2-yl)methanol
CID 79135075

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol (CID 79135807) is [1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol is CCC1CCC(CN)(C(O)c2c(Cl)cccc2Cl)C1.
What is the InChIKey of [1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol?
The InChIKey is NXYBNDYQCXWWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-2-10-6-7-15(8-10,9-18)14(19)13-11(16)4-3-5-12(13)17/h3-5,10,14,19H,2,6-9,18H2,1H3.
What are the key properties of [1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol?
[1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol has a molecular weight of 302.24 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol is sourced from PubChem (CID 79135807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).