N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine

C16H23N3O2 — CID 60878720

IUPACN-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine
SMILESCOc1ccc(OCCn2ccnc2)c(CNC(C)C)c1
InChIInChI=1S/C16H23N3O2/c1-13(2)18-11-14-10-15(20-3)4-5-16(14)21-9-8-19-7-6-17-12-19/h4-7,10,12-13,18H,8-9,11H2,1-3H3
InChIKeyPCWYGXWVDPSGBT-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.47
Rot. Bonds8

About N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine

N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine (PubChem CID 60878720) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine
PubChem CID60878720
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine
SMILESCOc1ccc(OCCn2ccnc2)c(CNC(C)C)c1
InChIInChI=1S/C16H23N3O2/c1-13(2)18-11-14-10-15(20-3)4-5-16(14)21-9-8-19-7-6-17-12-19/h4-7,10,12-13,18H,8-9,11H2,1-3H3
InChIKeyPCWYGXWVDPSGBT-UHFFFAOYSA-N
XLogP2.47
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine
CID 54931279
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 81106019
N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 60882800
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine
CID 43276423
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol
CID 82001092
4-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanenitrile
CID 60878158
N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 65364769
1-[(2,5-dimethoxyphenyl)methyl]imidazole
CID 82079239
N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 79883268
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276444
N-[[5-methoxy-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]propan-2-amine
CID 116614941

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine (CID 60878720) is N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine is COc1ccc(OCCn2ccnc2)c(CNC(C)C)c1.
What is the InChIKey of N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine?
The InChIKey is PCWYGXWVDPSGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(2)18-11-14-10-15(20-3)4-5-16(14)21-9-8-19-7-6-17-12-19/h4-7,10,12-13,18H,8-9,11H2,1-3H3.
What are the key properties of N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine?
N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 60878720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).