N-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine

C16H21N3O — CID 66151762

IUPACN-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1cccc(OCCn2cncc2CNC2CC2)c1
InChIInChI=1S/C16H21N3O/c1-13-3-2-4-16(9-13)20-8-7-19-12-17-10-15(19)11-18-14-5-6-14/h2-4,9-10,12,14,18H,5-8,11H2,1H3
InChIKeySWOFDDMKUXXACE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.52
Rot. Bonds7

About N-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine

N-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 66151762) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
PubChem CID66151762
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1cccc(OCCn2cncc2CNC2CC2)c1
InChIInChI=1S/C16H21N3O/c1-13-3-2-4-16(9-13)20-8-7-19-12-17-10-15(19)11-18-14-5-6-14/h2-4,9-10,12,14,18H,5-8,11H2,1H3
InChIKeySWOFDDMKUXXACE-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66146516
N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62440828
2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine
CID 114704523
N-[(3-methylimidazol-4-yl)methyl]-2-(3-methylphenoxy)ethanamine
CID 63001060
N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 61493252
N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114097853
N-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150969
N-[[1-(2-phenoxyethyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 66403366
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-[[3-(3,3,3-trifluoropropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66151603
N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66146507
N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908030

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine (CID 66151762) is N-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine is Cc1cccc(OCCn2cncc2CNC2CC2)c1.
What is the InChIKey of N-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is SWOFDDMKUXXACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-3-2-4-16(9-13)20-8-7-19-12-17-10-15(19)11-18-14-5-6-14/h2-4,9-10,12,14,18H,5-8,11H2,1H3.
What are the key properties of N-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
N-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 271.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66151762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).