[1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol

C15H21BrClNO — CID 83241847

IUPAC[1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C15H21BrClNO/c1-2-10-5-6-15(8-10,9-18)14(19)11-3-4-13(17)12(16)7-11/h3-4,7,10,14,19H,2,5-6,8-9,18H2,1H3
InChIKeyMNFHUANUMPCGLK-UHFFFAOYSA-N
MW346.70 g/mol
LogP4.29
Rot. Bonds4

About [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol

[1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol (PubChem CID 83241847) has the molecular formula C15H21BrClNO and a molecular weight of 346.70 g/mol. Its IUPAC name is [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol
PubChem CID83241847
Molecular FormulaC15H21BrClNO
Molecular Weight346.70 g/mol
Exact Mass345.05
IUPAC Name[1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C15H21BrClNO/c1-2-10-5-6-15(8-10,9-18)14(19)11-3-4-13(17)12(16)7-11/h3-4,7,10,14,19H,2,5-6,8-9,18H2,1H3
InChIKeyMNFHUANUMPCGLK-UHFFFAOYSA-N
XLogP4.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol with MolForge

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Related Compounds

3-Amino-1-(5-bromo-2-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65185978
3-Amino-1-(3-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65186312
3-Amino-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)propan-1-ol
CID 65188134
[1-(Aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol
CID 79137517
[1-(Aminomethyl)-3-methylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol
CID 79137875
[1-(Aminomethyl)-3-methylcyclopentyl]-(5-bromo-2-fluorophenyl)methanol
CID 79137968
[1-(Aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol
CID 79138155
[1-(Aminomethyl)-3-ethylcyclopentyl]-(5-bromo-2-fluorophenyl)methanol
CID 79138250
[1-(Aminomethyl)-3-methylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol
CID 79138829
2-Amino-1-(5-bromo-4-chloro-2-fluorophenyl)ethanol
CID 84808453
3-Amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol
CID 84812507
2-Amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol
CID 84812511

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol (CID 83241847) is [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol is CCC1CCC(CN)(C(O)c2ccc(Cl)c(Br)c2)C1.
What is the InChIKey of [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol?
The InChIKey is MNFHUANUMPCGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO/c1-2-10-5-6-15(8-10,9-18)14(19)11-3-4-13(17)12(16)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]-(3-bromo-4-chlorophenyl)methanol?
[1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol has a molecular weight of 346.70 g/mol, XLogP of 4.29, 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]-(3-bromo-4-chlorophenyl)methanol is sourced from PubChem (CID 83241847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).