N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine

C19H23NO — CID 62452512

IUPACN-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESCc1ccc(C)c(OCc2ccccc2CNC2CC2)c1
InChIInChI=1S/C19H23NO/c1-14-7-8-15(2)19(11-14)21-13-17-6-4-3-5-16(17)12-20-18-9-10-18/h3-8,11,18,20H,9-10,12-13H2,1-2H3
InChIKeyHQKYKCXBJIAJDF-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.13
Rot. Bonds6

About N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine

N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62452512) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
PubChem CID62452512
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESCc1ccc(C)c(OCc2ccccc2CNC2CC2)c1
InChIInChI=1S/C19H23NO/c1-14-7-8-15(2)19(11-14)21-13-17-6-4-3-5-16(17)12-20-18-9-10-18/h3-8,11,18,20H,9-10,12-13H2,1-2H3
InChIKeyHQKYKCXBJIAJDF-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62453998
N-[[2-[(2-bromo-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63498771
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62453576
N-[[5-[(2,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62453224
2-[[2-(bromomethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 90113514
N-[[2-[(4-bromo-3-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83138177
N-[[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 43277669
N-[[4-(2,5-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254386
N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine
CID 62454096
N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282262
N-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine
CID 62485666
N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283592

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine (CID 62452512) is N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine is Cc1ccc(C)c(OCc2ccccc2CNC2CC2)c1.
What is the InChIKey of N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is HQKYKCXBJIAJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-7-8-15(2)19(11-14)21-13-17-6-4-3-5-16(17)12-20-18-9-10-18/h3-8,11,18,20H,9-10,12-13H2,1-2H3.
What are the key properties of N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 281.40 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62452512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).