[1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol

C17H27NO — CID 79138474

IUPAC[1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol
SMILESCCc1ccccc1C(O)C1(CN)CCC(CC)C1
InChIInChI=1S/C17H27NO/c1-3-13-9-10-17(11-13,12-18)16(19)15-8-6-5-7-14(15)4-2/h5-8,13,16,19H,3-4,9-12,18H2,1-2H3
InChIKeyVXKSTIZKXSFIPN-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.44
Rot. Bonds5

About [1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol

[1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol (PubChem CID 79138474) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol
PubChem CID79138474
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol
SMILESCCc1ccccc1C(O)C1(CN)CCC(CC)C1
InChIInChI=1S/C17H27NO/c1-3-13-9-10-17(11-13,12-18)16(19)15-8-6-5-7-14(15)4-2/h5-8,13,16,19H,3-4,9-12,18H2,1-2H3
InChIKeyVXKSTIZKXSFIPN-UHFFFAOYSA-N
XLogP3.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol (CID 79138474) is [1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol is CCc1ccccc1C(O)C1(CN)CCC(CC)C1.
What is the InChIKey of [1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol?
The InChIKey is VXKSTIZKXSFIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-13-9-10-17(11-13,12-18)16(19)15-8-6-5-7-14(15)4-2/h5-8,13,16,19H,3-4,9-12,18H2,1-2H3.
What are the key properties of [1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol?
[1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol has a molecular weight of 261.41 g/mol, XLogP of 3.44, 5 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-ethylphenyl)methanol is sourced from PubChem (CID 79138474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).