[1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol

C16H23BrFNO — CID 79137679

IUPAC[1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol
SMILESCCC1CCCC(CN)(C(O)c2ccc(Br)cc2F)C1
InChIInChI=1S/C16H23BrFNO/c1-2-11-4-3-7-16(9-11,10-19)15(20)13-6-5-12(17)8-14(13)18/h5-6,8,11,15,20H,2-4,7,9-10,19H2,1H3
InChIKeyZTMFDZWIKLYQBS-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.17
Rot. Bonds4

About [1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol

[1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol (PubChem CID 79137679) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is [1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol
PubChem CID79137679
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC Name[1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol
SMILESCCC1CCCC(CN)(C(O)c2ccc(Br)cc2F)C1
InChIInChI=1S/C16H23BrFNO/c1-2-11-4-3-7-16(9-11,10-19)15(20)13-6-5-12(17)8-14(13)18/h5-6,8,11,15,20H,2-4,7,9-10,19H2,1H3
InChIKeyZTMFDZWIKLYQBS-UHFFFAOYSA-N
XLogP4.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol
CID 79138448
[1-(aminomethyl)-3-ethylcyclohexyl]-(5-bromo-2-methoxyphenyl)methanol
CID 79126020
[1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol
CID 79138719
[1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol
CID 79135617
[1-(aminomethyl)-3-ethylcyclohexyl]-[3-(difluoromethyl)phenyl]methanol
CID 115530085
[1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol
CID 79138325
[1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol
CID 106889658
[1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol
CID 83094813
[1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol
CID 79137517
[1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol
CID 112739883
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,5-difluorophenyl)methanol
CID 79138372
[1-(aminomethyl)-3-ethylcyclopentyl]-(3-chloro-4-fluorophenyl)methanol
CID 81157099

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol (CID 79137679) is [1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol is CCC1CCCC(CN)(C(O)c2ccc(Br)cc2F)C1.
What is the InChIKey of [1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol?
The InChIKey is ZTMFDZWIKLYQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO/c1-2-11-4-3-7-16(9-11,10-19)15(20)13-6-5-12(17)8-14(13)18/h5-6,8,11,15,20H,2-4,7,9-10,19H2,1H3.
What are the key properties of [1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol?
[1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol has a molecular weight of 344.27 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol is sourced from PubChem (CID 79137679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).