N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine

C16H17BrN2O — CID 82831614

IUPACN-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
SMILESBrc1ccccc1COc1ncccc1CNC1CC1
InChIInChI=1S/C16H17BrN2O/c17-15-6-2-1-4-13(15)11-20-16-12(5-3-9-18-16)10-19-14-7-8-14/h1-6,9,14,19H,7-8,10-11H2
InChIKeyQFUNPGHKNNXJLR-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.68
Rot. Bonds6

About N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine

N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 82831614) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
PubChem CID82831614
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
SMILESBrc1ccccc1COc1ncccc1CNC1CC1
InChIInChI=1S/C16H17BrN2O/c17-15-6-2-1-4-13(15)11-20-16-12(5-3-9-18-16)10-19-14-7-8-14/h1-6,9,14,19H,7-8,10-11H2
InChIKeyQFUNPGHKNNXJLR-UHFFFAOYSA-N
XLogP3.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-bromophenyl)methoxy]-3-pyridinyl]-N-methylmethanamine
CID 82831764
N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499386
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82831234
[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828202
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291000
N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953688
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292572
N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 82831997
N-[[2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 83134502
N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 65201430

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine (CID 82831614) is N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine is Brc1ccccc1COc1ncccc1CNC1CC1.
What is the InChIKey of N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is QFUNPGHKNNXJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c17-15-6-2-1-4-13(15)11-20-16-12(5-3-9-18-16)10-19-14-7-8-14/h1-6,9,14,19H,7-8,10-11H2.
What are the key properties of N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 333.23 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 82831614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).