2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine

C11H15BrClNO — CID 117472556

IUPAC2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine
SMILESCOCc1c(Cl)cc(C(C)CN)cc1Br
InChIInChI=1S/C11H15BrClNO/c1-7(5-14)8-3-10(12)9(6-15-2)11(13)4-8/h3-4,7H,5-6,14H2,1-2H3
InChIKeyOIKVDVRRSFGKTA-UHFFFAOYSA-N
MW292.60 g/mol
LogP3.31
Rot. Bonds4

About 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine

2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine (PubChem CID 117472556) has the molecular formula C11H15BrClNO and a molecular weight of 292.60 g/mol. Its IUPAC name is 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine
PubChem CID117472556
Molecular FormulaC11H15BrClNO
Molecular Weight292.60 g/mol
Exact Mass291.00
IUPAC Name2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine
SMILESCOCc1c(Cl)cc(C(C)CN)cc1Br
InChIInChI=1S/C11H15BrClNO/c1-7(5-14)8-3-10(12)9(6-15-2)11(13)4-8/h3-4,7H,5-6,14H2,1-2H3
InChIKeyOIKVDVRRSFGKTA-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783199
O-[2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117475178
2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol
CID 117339623
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
2-[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117496682
2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine
CID 117441898
2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine
CID 117483716
2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine
CID 117465245
(1R)-1-(3-bromo-4-chlorophenyl)-2-methoxyethanamine
CID 131168794
2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]pyrrolidine
CID 117490026
(1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol
CID 54051332
5-(1-aminopropan-2-yl)-2-bromoaniline
CID 84692433

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine?
The IUPAC name of 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine (CID 117472556) is 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine is COCc1c(Cl)cc(C(C)CN)cc1Br.
What is the InChIKey of 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine?
The InChIKey is OIKVDVRRSFGKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO/c1-7(5-14)8-3-10(12)9(6-15-2)11(13)4-8/h3-4,7H,5-6,14H2,1-2H3.
What are the key properties of 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine?
2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine has a molecular weight of 292.60 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine is sourced from PubChem (CID 117472556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).