N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine

C19H25BrN2O3 — CID 66526249

IUPACN-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESCCCOc1c(CNCCCOc2ccccn2)cc(Br)cc1OC
InChIInChI=1S/C19H25BrN2O3/c1-3-10-25-19-15(12-16(20)13-17(19)23-2)14-21-8-6-11-24-18-7-4-5-9-22-18/h4-5,7,9,12-13,21H,3,6,8,10-11,14H2,1-2H3
InChIKeyIMHCFYWGVLLTTK-UHFFFAOYSA-N
MW409.32 g/mol
LogP4.20
Rot. Bonds11

About N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine

N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine (PubChem CID 66526249) has the molecular formula C19H25BrN2O3 and a molecular weight of 409.32 g/mol. Its IUPAC name is N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
PubChem CID66526249
Molecular FormulaC19H25BrN2O3
Molecular Weight409.32 g/mol
Exact Mass408.10
IUPAC NameN-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESCCCOc1c(CNCCCOc2ccccn2)cc(Br)cc1OC
InChIInChI=1S/C19H25BrN2O3/c1-3-10-25-19-15(12-16(20)13-17(19)23-2)14-21-8-6-11-24-18-7-4-5-9-22-18/h4-5,7,9,12-13,21H,3,6,8,10-11,14H2,1-2H3
InChIKeyIMHCFYWGVLLTTK-UHFFFAOYSA-N
XLogP4.20
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 66526320
N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 29228113
N-[(5-chloro-2-methoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526415
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526438
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526310
N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
CID 29228055
N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]prop-2-en-1-amine
CID 29228094
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526346
N-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526225
(2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine
CID 29228088
N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526323
N-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17209150

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine?
The IUPAC name of N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine (CID 66526249) is N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine.
What is the SMILES notation for N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine?
The canonical SMILES for N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine is CCCOc1c(CNCCCOc2ccccn2)cc(Br)cc1OC.
What is the InChIKey of N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine?
The InChIKey is IMHCFYWGVLLTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O3/c1-3-10-25-19-15(12-16(20)13-17(19)23-2)14-21-8-6-11-24-18-7-4-5-9-22-18/h4-5,7,9,12-13,21H,3,6,8,10-11,14H2,1-2H3.
What are the key properties of N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine?
N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine has a molecular weight of 409.32 g/mol, XLogP of 4.20, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine is sourced from PubChem (CID 66526249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).