N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine

C18H21NO — CID 39366709

IUPACN-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCc1ccccc1COc1ccc(CNC2CC2)cc1
InChIInChI=1S/C18H21NO/c1-14-4-2-3-5-16(14)13-20-18-10-6-15(7-11-18)12-19-17-8-9-17/h2-7,10-11,17,19H,8-9,12-13H2,1H3
InChIKeyWUJJTDOSPFJWAW-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.83
Rot. Bonds6

About N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine

N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 39366709) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID39366709
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCc1ccccc1COc1ccc(CNC2CC2)cc1
InChIInChI=1S/C18H21NO/c1-14-4-2-3-5-16(14)13-20-18-10-6-15(7-11-18)12-19-17-8-9-17/h2-7,10-11,17,19H,8-9,12-13H2,1H3
InChIKeyWUJJTDOSPFJWAW-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-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 4715574
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 107305713
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 17293728
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17294388
N-[[2-[(4-bromo-3-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83138177
N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 107457220
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 43277669

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine (CID 39366709) is N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine is Cc1ccccc1COc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is WUJJTDOSPFJWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-4-2-3-5-16(14)13-20-18-10-6-15(7-11-18)12-19-17-8-9-17/h2-7,10-11,17,19H,8-9,12-13H2,1H3.
What are the key properties of N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[4-[(2-methylphenyl)methoxy]phenyl]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-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 39366709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).