N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine

C15H20ClN3O — CID 18349582

IUPACN-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine
SMILESCN(CCCn1ccnc1)CCOc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O/c1-18(8-2-9-19-10-7-17-13-19)11-12-20-15-5-3-14(16)4-6-15/h3-7,10,13H,2,8-9,11-12H2,1H3
InChIKeyAZWVHALXVNPFTJ-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.94
Rot. Bonds8

About N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine

N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine (PubChem CID 18349582) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine
PubChem CID18349582
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine
SMILESCN(CCCn1ccnc1)CCOc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O/c1-18(8-2-9-19-10-7-17-13-19)11-12-20-15-5-3-14(16)4-6-15/h3-7,10,13H,2,8-9,11-12H2,1H3
InChIKeyAZWVHALXVNPFTJ-UHFFFAOYSA-N
XLogP2.94
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
bis(N-[2-(4-chlorophenoxy)ethyl]-5-imidazol-1-ylpentan-1-amine);hydrate;tetrahydrochloride
CID 173280314
N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine
CID 107207249
1-[2-(4-chlorophenoxy)ethylamino]-5-imidazol-1-ylpentan-1-ol;dihydrochloride
CID 70213779
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343
4-[2-[bis(2-imidazol-1-ylethyl)amino]ethoxy]phenol
CID 177310269
4-chloro-2-N-(3-imidazol-1-ylpropyl)-2-N-methylbenzene-1,2-diamine
CID 107466060
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17155316
3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
CID 61492835

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine (CID 18349582) is N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine is CN(CCCn1ccnc1)CCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
The InChIKey is AZWVHALXVNPFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-18(8-2-9-19-10-7-17-13-19)11-12-20-15-5-3-14(16)4-6-15/h3-7,10,13H,2,8-9,11-12H2,1H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine has a molecular weight of 293.80 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine is sourced from PubChem (CID 18349582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).