N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine

C18H21NO — CID 112609978

IUPACN-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
SMILESCc1cccc(CNC2CC2)c1OCc1ccccc1
InChIInChI=1S/C18H21NO/c1-14-6-5-9-16(12-19-17-10-11-17)18(14)20-13-15-7-3-2-4-8-15/h2-9,17,19H,10-13H2,1H3
InChIKeyVFACJARGRKEPNY-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.83
Rot. Bonds6

About N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine

N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine (PubChem CID 112609978) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
PubChem CID112609978
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
SMILESCc1cccc(CNC2CC2)c1OCc1ccccc1
InChIInChI=1S/C18H21NO/c1-14-6-5-9-16(12-19-17-10-11-17)18(14)20-13-15-7-3-2-4-8-15/h2-9,17,19H,10-13H2,1H3
InChIKeyVFACJARGRKEPNY-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine
CID 115953990
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-[(5-bromo-3-methyl-2-phenylmethoxyphenyl)methyl]cyclohexanamine
CID 171919480
N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610027
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953912
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-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine
CID 112609975
2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine
CID 112610278
1-benzyl-N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 17159370

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine (CID 112609978) is N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine is Cc1cccc(CNC2CC2)c1OCc1ccccc1.
What is the InChIKey of N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine?
The InChIKey is VFACJARGRKEPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-6-5-9-16(12-19-17-10-11-17)18(14)20-13-15-7-3-2-4-8-15/h2-9,17,19H,10-13H2,1H3.
What are the key properties of N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine?
N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine has a molecular weight of 267.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 112609978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).