N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine

C16H17BrN2O — CID 81250448

IUPACN-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Oc2ccncc2CNC2CC2)c(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-11-2-5-16(14(17)8-11)20-15-6-7-18-9-12(15)10-19-13-3-4-13/h2,5-9,13,19H,3-4,10H2,1H3
InChIKeyAKZJEOAGXXZJBI-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.20
Rot. Bonds5

About N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 81250448) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID81250448
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Oc2ccncc2CNC2CC2)c(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-11-2-5-16(14(17)8-11)20-15-6-7-18-9-12(15)10-19-13-3-4-13/h2,5-9,13,19H,3-4,10H2,1H3
InChIKeyAKZJEOAGXXZJBI-UHFFFAOYSA-N
XLogP4.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(2-bromo-4-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314299
N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075967
N-[[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83188048
N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250512
1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075460
N-[[2-[(2-bromo-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63498771
N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075462
N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253545
N-[[4-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250588
N-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 81254935
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81255002
3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine
CID 81249862

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 81250448) is N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine is Cc1ccc(Oc2ccncc2CNC2CC2)c(Br)c1.
What is the InChIKey of N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is AKZJEOAGXXZJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-2-5-16(14(17)8-11)20-15-6-7-18-9-12(15)10-19-13-3-4-13/h2,5-9,13,19H,3-4,10H2,1H3.
What are the key properties of N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 333.23 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 81250448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).