1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine

C16H18BrClN2O — CID 104807746

IUPAC1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1OCc1cncc(Br)c1
InChIInChI=1S/C16H18BrClN2O/c1-2-15(19)7-12-6-14(18)3-4-16(12)21-10-11-5-13(17)9-20-8-11/h3-6,8-9,15H,2,7,10,19H2,1H3
InChIKeyRNSDDLDJPOYIJC-UHFFFAOYSA-N
MW369.69 g/mol
LogP4.36
Rot. Bonds6

About 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine

1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine (PubChem CID 104807746) has the molecular formula C16H18BrClN2O and a molecular weight of 369.69 g/mol. Its IUPAC name is 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine
PubChem CID104807746
Molecular FormulaC16H18BrClN2O
Molecular Weight369.69 g/mol
Exact Mass368.03
IUPAC Name1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1OCc1cncc(Br)c1
InChIInChI=1S/C16H18BrClN2O/c1-2-15(19)7-12-6-14(18)3-4-16(12)21-10-11-5-13(17)9-20-8-11/h3-6,8-9,15H,2,7,10,19H2,1H3
InChIKeyRNSDDLDJPOYIJC-UHFFFAOYSA-N
XLogP4.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.69
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine
CID 107693394
1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine
CID 114863283
1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 63421165
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 104796252
1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine
CID 54928874
1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
CID 63421655
1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine
CID 54929309
1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 54929442
3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine
CID 104798982
1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 114862972
1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine
CID 114863152

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine?
The IUPAC name of 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine (CID 104807746) is 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine.
What is the SMILES notation for 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine?
The canonical SMILES for 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine is CCC(N)Cc1cc(Cl)ccc1OCc1cncc(Br)c1.
What is the InChIKey of 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine?
The InChIKey is RNSDDLDJPOYIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2O/c1-2-15(19)7-12-6-14(18)3-4-16(12)21-10-11-5-13(17)9-20-8-11/h3-6,8-9,15H,2,7,10,19H2,1H3.
What are the key properties of 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine?
1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine has a molecular weight of 369.69 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine is sourced from PubChem (CID 104807746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).