(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine

C16H16BrClFNO — CID 105398664

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1cccc(C(N)c2cc(Cl)c(Br)cc2F)c1
InChIInChI=1S/C16H16BrClFNO/c1-9(2)21-11-5-3-4-10(6-11)16(20)12-7-14(18)13(17)8-15(12)19/h3-9,16H,20H2,1-2H3
InChIKeyZBXRZSAQIYEIRV-UHFFFAOYSA-N
MW372.67 g/mol
LogP5.08
Rot. Bonds4

About (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine

(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 105398664) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
PubChem CID105398664
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1cccc(C(N)c2cc(Cl)c(Br)cc2F)c1
InChIInChI=1S/C16H16BrClFNO/c1-9(2)21-11-5-3-4-10(6-11)16(20)12-7-14(18)13(17)8-15(12)19/h3-9,16H,20H2,1-2H3
InChIKeyZBXRZSAQIYEIRV-UHFFFAOYSA-N
XLogP5.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 105399544
(2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79737100
(3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79747415
(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 62920659
(2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105019095
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine
CID 105398676
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107982138
(4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 105398601
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 105398308
(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine
CID 105398594
1-chloro-2-[chloro-(3-propan-2-yloxyphenyl)methyl]-4,5-difluorobenzene
CID 107477257
(4-bromo-5-chloro-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 105398478

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine (CID 105398664) is (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine is CC(C)Oc1cccc(C(N)c2cc(Cl)c(Br)cc2F)c1.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is ZBXRZSAQIYEIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-9(2)21-11-5-3-4-10(6-11)16(20)12-7-14(18)13(17)8-15(12)19/h3-9,16H,20H2,1-2H3.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine?
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 372.67 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 105398664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).