N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine

C16H21N3O — CID 65446788

IUPACN-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
SMILESCOc1ccc(CCn2ccnc2CNC2CC2)cc1
InChIInChI=1S/C16H21N3O/c1-20-15-6-2-13(3-7-15)8-10-19-11-9-17-16(19)12-18-14-4-5-14/h2-3,6-7,9,11,14,18H,4-5,8,10,12H2,1H3
InChIKeyHUWAJZALZFPQOS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.39
Rot. Bonds7

About N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine

N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine (PubChem CID 65446788) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
PubChem CID65446788
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
SMILESCOc1ccc(CCn2ccnc2CNC2CC2)cc1
InChIInChI=1S/C16H21N3O/c1-20-15-6-2-13(3-7-15)8-10-19-11-9-17-16(19)12-18-14-4-5-14/h2-3,6-7,9,11,14,18H,4-5,8,10,12H2,1H3
InChIKeyHUWAJZALZFPQOS-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 42818895
N-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 65441861
N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405569
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 112591061
2-[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]ethanol
CID 82560023
N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
CID 55048995
N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 46784377
N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide
CID 55098061
N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62222363
N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine (CID 65446788) is N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine is COc1ccc(CCn2ccnc2CNC2CC2)cc1.
What is the InChIKey of N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine?
The InChIKey is HUWAJZALZFPQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-15-6-2-13(3-7-15)8-10-19-11-9-17-16(19)12-18-14-4-5-14/h2-3,6-7,9,11,14,18H,4-5,8,10,12H2,1H3.
What are the key properties of N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine?
N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine has a molecular weight of 271.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65446788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).