1-(4-bromo-3-chloro-2-fluorophenyl)-4-(ethylamino)cyclohexan-1-ol

C14H18BrClFNO — CID 106763738

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-4-(ethylamino)cyclohexan-1-ol
SMILESCCNC1CCC(O)(c2ccc(Br)c(Cl)c2F)CC1
InChIInChI=1S/C14H18BrClFNO/c1-2-18-9-5-7-14(19,8-6-9)10-3-4-11(15)12(16)13(10)17/h3-4,9,18-19H,2,5-8H2,1H3
InChIKeyURWWTUOSCMKBMS-UHFFFAOYSA-N
MW350.66 g/mol
LogP3.98
Rot. Bonds3

About 1-(4-bromo-3-chloro-2-fluorophenyl)-4-(ethylamino)cyclohexan-1-ol

1-(4-bromo-3-chloro-2-fluorophenyl)-4-(ethylamino)cyclohexan-1-ol (PubChem CID 106763738) has the molecular formula C14H18BrClFNO and a molecular weight of 350.66 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-4-(ethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-4-(ethylamino)cyclohexan-1-ol
PubChem CID106763738
Molecular FormulaC14H18BrClFNO
Molecular Weight350.66 g/mol
Exact Mass349.02
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-4-(ethylamino)cyclohexan-1-ol
SMILESCCNC1CCC(O)(c2ccc(Br)c(Cl)c2F)CC1
InChIInChI=1S/C14H18BrClFNO/c1-2-18-9-5-7-14(19,8-6-9)10-3-4-11(15)12(16)13(10)17/h3-4,9,18-19H,2,5-8H2,1H3
InChIKeyURWWTUOSCMKBMS-UHFFFAOYSA-N
XLogP3.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.66
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromo-3-chloro-2-fluorophenyl)-1-methylpiperidin-4-ol
CID 106761250
4-(4-bromo-3-chloro-2-fluorophenyl)-1-methylazepan-4-ol
CID 106761407
N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride
CID 167530137
1-(4-bromo-3-chloro-2-fluorophenyl)-2-tert-butylcyclohexan-1-ol
CID 106761218
1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol
CID 106943803
3-(4-bromo-3-chloro-2-fluorophenyl)-1-methylpiperidin-3-ol
CID 106761485
1-[(4-bromo-3-chloro-2-fluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 106762198
N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 167530134
1-(4-bromo-3-chloro-2-fluorophenyl)-4-propylcycloheptan-1-amine
CID 106761658
1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 114861684
1-(4-bromo-3-chloro-2-fluorophenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106761590
1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol
CID 107512064

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-4-(ethylamino)cyclohexan-1-ol?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-4-(ethylamino)cyclohexan-1-ol (CID 106763738) is 1-(4-bromo-3-chloro-2-fluorophenyl)-4-(ethylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-4-(ethylamino)cyclohexan-1-ol?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-4-(ethylamino)cyclohexan-1-ol is CCNC1CCC(O)(c2ccc(Br)c(Cl)c2F)CC1.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-4-(ethylamino)cyclohexan-1-ol?
The InChIKey is URWWTUOSCMKBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClFNO/c1-2-18-9-5-7-14(19,8-6-9)10-3-4-11(15)12(16)13(10)17/h3-4,9,18-19H,2,5-8H2,1H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-4-(ethylamino)cyclohexan-1-ol?
1-(4-bromo-3-chloro-2-fluorophenyl)-4-(ethylamino)cyclohexan-1-ol has a molecular weight of 350.66 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-4-(ethylamino)cyclohexan-1-ol is sourced from PubChem (CID 106763738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).