N-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine

C17H19ClN2O — CID 115953990

IUPACN-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cccc(CNC2CC2)c1OCc1ccncc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12-3-2-4-13(9-20-15-5-6-15)17(12)21-11-14-7-8-19-10-16(14)18/h2-4,7-8,10,15,20H,5-6,9,11H2,1H3
InChIKeyDDZBVNDCRJJUNP-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.87
Rot. Bonds6

About N-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine

N-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine (PubChem CID 115953990) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine
PubChem CID115953990
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cccc(CNC2CC2)c1OCc1ccncc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12-3-2-4-13(9-20-15-5-6-15)17(12)21-11-14-7-8-19-10-16(14)18/h2-4,7-8,10,15,20H,5-6,9,11H2,1H3
InChIKeyDDZBVNDCRJJUNP-UHFFFAOYSA-N
XLogP3.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
CID 112609978
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953912
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093
N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112609988
N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610024
N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine
CID 112609975
N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610027
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine
CID 113414026
3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol
CID 112609987
N-[[3-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953820
N-(isoquinolin-5-ylmethyl)cyclopentanamine
CID 55119141

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine (CID 115953990) is N-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine is Cc1cccc(CNC2CC2)c1OCc1ccncc1Cl.
What is the InChIKey of N-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine?
The InChIKey is DDZBVNDCRJJUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-3-2-4-13(9-20-15-5-6-15)17(12)21-11-14-7-8-19-10-16(14)18/h2-4,7-8,10,15,20H,5-6,9,11H2,1H3.
What are the key properties of N-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine?
N-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine has a molecular weight of 302.81 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 115953990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).