N-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine

C18H25N3O2 — CID 91841422

IUPACN-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
SMILESCOc1cc(C)ccc1OCCN(Cc1nccn1C)C1CC1
InChIInChI=1S/C18H25N3O2/c1-14-4-7-16(17(12-14)22-3)23-11-10-21(15-5-6-15)13-18-19-8-9-20(18)2/h4,7-9,12,15H,5-6,10-11,13H2,1-3H3
InChIKeyNYDQZRJYVJJMHR-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.78
Rot. Bonds8

About N-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine

N-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine (PubChem CID 91841422) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
PubChem CID91841422
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
SMILESCOc1cc(C)ccc1OCCN(Cc1nccn1C)C1CC1
InChIInChI=1S/C18H25N3O2/c1-14-4-7-16(17(12-14)22-3)23-11-10-21(15-5-6-15)13-18-19-8-9-20(18)2/h4,7-9,12,15H,5-6,10-11,13H2,1-3H3
InChIKeyNYDQZRJYVJJMHR-UHFFFAOYSA-N
XLogP2.78
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 56705149
(2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 94600634
4-[[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]methyl]aniline
CID 114528265
2-[2-(2-methoxy-5-methylphenyl)prop-2-enyl]-1-methylimidazole
CID 89441655
(1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 104934275
1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 106790241
2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531207
N-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 77091426
(1R)-1-[4-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 104934285
1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049774
2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 131928849
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine (CID 91841422) is N-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine is COc1cc(C)ccc1OCCN(Cc1nccn1C)C1CC1.
What is the InChIKey of N-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
The InChIKey is NYDQZRJYVJJMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-4-7-16(17(12-14)22-3)23-11-10-21(15-5-6-15)13-18-19-8-9-20(18)2/h4,7-9,12,15H,5-6,10-11,13H2,1-3H3.
What are the key properties of N-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine has a molecular weight of 315.42 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 91841422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).