[1-(aminomethyl)-3-methylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol

C14H19BrFNO — CID 79137875

IUPAC[1-(aminomethyl)-3-methylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol
SMILESCC1CCC(CN)(C(O)c2ccc(F)c(Br)c2)C1
InChIInChI=1S/C14H19BrFNO/c1-9-4-5-14(7-9,8-17)13(18)10-2-3-12(16)11(15)6-10/h2-3,6,9,13,18H,4-5,7-8,17H2,1H3
InChIKeyYDPWGTMOUPPVQY-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.39
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol

[1-(aminomethyl)-3-methylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol (PubChem CID 79137875) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol
PubChem CID79137875
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name[1-(aminomethyl)-3-methylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol
SMILESCC1CCC(CN)(C(O)c2ccc(F)c(Br)c2)C1
InChIInChI=1S/C14H19BrFNO/c1-9-4-5-14(7-9,8-17)13(18)10-2-3-12(16)11(15)6-10/h2-3,6,9,13,18H,4-5,7-8,17H2,1H3
InChIKeyYDPWGTMOUPPVQY-UHFFFAOYSA-N
XLogP3.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol (CID 79137875) is [1-(aminomethyl)-3-methylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol is CC1CCC(CN)(C(O)c2ccc(F)c(Br)c2)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol?
The InChIKey is YDPWGTMOUPPVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-9-4-5-14(7-9,8-17)13(18)10-2-3-12(16)11(15)6-10/h2-3,6,9,13,18H,4-5,7-8,17H2,1H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol?
[1-(aminomethyl)-3-methylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol has a molecular weight of 316.21 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol is sourced from PubChem (CID 79137875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).