N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine

C18H21NO — CID 62450351

IUPACN-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESCc1ccc(OCc2ccc(CNC3CC3)cc2)cc1
InChIInChI=1S/C18H21NO/c1-14-2-10-18(11-3-14)20-13-16-6-4-15(5-7-16)12-19-17-8-9-17/h2-7,10-11,17,19H,8-9,12-13H2,1H3
InChIKeyRLKPJUSOLNKDNA-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.83
Rot. Bonds6

About N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine

N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62450351) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
PubChem CID62450351
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESCc1ccc(OCc2ccc(CNC3CC3)cc2)cc1
InChIInChI=1S/C18H21NO/c1-14-2-10-18(11-3-14)20-13-16-6-4-15(5-7-16)12-19-17-8-9-17/h2-7,10-11,17,19H,8-9,12-13H2,1H3
InChIKeyRLKPJUSOLNKDNA-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-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253
N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 107457220
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39366709
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
N-[[4-(3,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283085
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine (CID 62450351) is N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine is Cc1ccc(OCc2ccc(CNC3CC3)cc2)cc1.
What is the InChIKey of N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is RLKPJUSOLNKDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-2-10-18(11-3-14)20-13-16-6-4-15(5-7-16)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-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
N-[[4-[(4-methylphenoxy)methyl]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-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62450351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).