(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine

C14H18BrClFNO — CID 106763019

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
SMILESCCOC1(C(N)c2ccc(Br)c(Cl)c2F)CCCC1
InChIInChI=1S/C14H18BrClFNO/c1-2-19-14(7-3-4-8-14)13(18)9-5-6-10(15)11(16)12(9)17/h5-6,13H,2-4,7-8,18H2,1H3
InChIKeyKURHPSQVUQFBRV-UHFFFAOYSA-N
MW350.66 g/mol
LogP4.59
Rot. Bonds4

About (4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine

(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine (PubChem CID 106763019) has the molecular formula C14H18BrClFNO and a molecular weight of 350.66 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
PubChem CID106763019
Molecular FormulaC14H18BrClFNO
Molecular Weight350.66 g/mol
Exact Mass349.02
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
SMILESCCOC1(C(N)c2ccc(Br)c(Cl)c2F)CCCC1
InChIInChI=1S/C14H18BrClFNO/c1-2-19-14(7-3-4-8-14)13(18)9-5-6-10(15)11(16)12(9)17/h5-6,13H,2-4,7-8,18H2,1H3
InChIKeyKURHPSQVUQFBRV-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.66
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycycloheptyl)methanol
CID 106762178
(4-bromo-3-chloro-2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 106763038
(5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 116761622
(4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 106762721
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine
CID 106762503
(1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine
CID 116770564
(1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102755265
(4-bromo-3-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191802
(3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 106942119
(1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine
CID 116761580
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine
CID 106765549
(5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine
CID 116770642

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine (CID 106763019) is (4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine is CCOC1(C(N)c2ccc(Br)c(Cl)c2F)CCCC1.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine?
The InChIKey is KURHPSQVUQFBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClFNO/c1-2-19-14(7-3-4-8-14)13(18)9-5-6-10(15)11(16)12(9)17/h5-6,13H,2-4,7-8,18H2,1H3.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine?
(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine has a molecular weight of 350.66 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine is sourced from PubChem (CID 106763019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).