[1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol

C15H21ClFNO — CID 79137517

IUPAC[1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H21ClFNO/c1-2-10-5-6-15(8-10,9-18)14(19)11-3-4-12(16)13(17)7-11/h3-4,7,10,14,19H,2,5-6,8-9,18H2,1H3
InChIKeyVLMOZQPPCBFBCI-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.67
Rot. Bonds4

About [1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol

[1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol (PubChem CID 79137517) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is [1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol
PubChem CID79137517
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name[1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H21ClFNO/c1-2-10-5-6-15(8-10,9-18)14(19)11-3-4-12(16)13(17)7-11/h3-4,7,10,14,19H,2,5-6,8-9,18H2,1H3
InChIKeyVLMOZQPPCBFBCI-UHFFFAOYSA-N
XLogP3.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-3-ethylcyclopentyl]-(3-chloro-4-fluorophenyl)methanol
CID 81157099
[1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol
CID 83241847
[1-(aminomethyl)-3-ethylcyclopentyl]-(3,5-dichlorophenyl)methanol
CID 79138188
[1-(aminomethyl)-3-ethylcyclopentyl]-(2-chloro-6-fluorophenyl)methanol
CID 79135009
[1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol
CID 79135807
[1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol
CID 79977381
[1-(aminomethyl)-4-ethylcyclohexyl]-(3-chloro-5-fluorophenyl)methanol
CID 114455039
[1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
CID 107898531
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol
CID 79138792
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol
CID 79134806
[1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol
CID 79135617
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,5-difluorophenyl)methanol
CID 79138372

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol (CID 79137517) is [1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol is CCC1CCC(CN)(C(O)c2ccc(Cl)c(F)c2)C1.
What is the InChIKey of [1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol?
The InChIKey is VLMOZQPPCBFBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-2-10-5-6-15(8-10,9-18)14(19)11-3-4-12(16)13(17)7-11/h3-4,7,10,14,19H,2,5-6,8-9,18H2,1H3.
What are the key properties of [1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol?
[1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol has a molecular weight of 285.79 g/mol, XLogP of 3.67, 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]-(4-chloro-3-fluorophenyl)methanol is sourced from PubChem (CID 79137517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).