1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine

C17H19BrClNO — CID 106868969

IUPAC1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine
SMILESCc1ccc(COc2ccc(CC(C)N)cc2Br)c(Cl)c1
InChIInChI=1S/C17H19BrClNO/c1-11-3-5-14(16(19)7-11)10-21-17-6-4-13(8-12(2)20)9-15(17)18/h3-7,9,12H,8,10,20H2,1-2H3
InChIKeyWUXQDMMULPVECR-UHFFFAOYSA-N
MW368.70 g/mol
LogP4.88
Rot. Bonds5

About 1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine

1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine (PubChem CID 106868969) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine
PubChem CID106868969
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine
SMILESCc1ccc(COc2ccc(CC(C)N)cc2Br)c(Cl)c1
InChIInChI=1S/C17H19BrClNO/c1-11-3-5-14(16(19)7-11)10-21-17-6-4-13(8-12(2)20)9-15(17)18/h3-7,9,12H,8,10,20H2,1-2H3
InChIKeyWUXQDMMULPVECR-UHFFFAOYSA-N
XLogP4.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.70
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63422291
1-[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421985
(1S)-1-[4-bromo-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861964
1-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]propan-2-amine
CID 63326375
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 104862274
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine
CID 80696097
(1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861855
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine
CID 106861888
1-[3-bromo-4-(4-methoxybutoxy)phenyl]propan-2-amine
CID 104648836
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
CID 106864318
4-[(2-bromo-4-methylphenoxy)methyl]-3-chlorobenzonitrile
CID 102665839

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine (CID 106868969) is 1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine is Cc1ccc(COc2ccc(CC(C)N)cc2Br)c(Cl)c1.
What is the InChIKey of 1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is WUXQDMMULPVECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-11-3-5-14(16(19)7-11)10-21-17-6-4-13(8-12(2)20)9-15(17)18/h3-7,9,12H,8,10,20H2,1-2H3.
What are the key properties of 1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine?
1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine has a molecular weight of 368.70 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 106868969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).