N-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine

C16H22ClN3O — CID 66153433

IUPACN-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCc1cncn1C(C)C
InChIInChI=1S/C16H22ClN3O/c1-4-18-8-13-7-14(17)5-6-16(13)21-10-15-9-19-11-20(15)12(2)3/h5-7,9,11-12,18H,4,8,10H2,1-3H3
InChIKeyHTCRYAOIQIODJI-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.81
Rot. Bonds7

About N-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine

N-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 66153433) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is N-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID66153433
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC NameN-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCc1cncn1C(C)C
InChIInChI=1S/C16H22ClN3O/c1-4-18-8-13-7-14(17)5-6-16(13)21-10-15-9-19-11-20(15)12(2)3/h5-7,9,11-12,18H,4,8,10H2,1-3H3
InChIKeyHTCRYAOIQIODJI-UHFFFAOYSA-N
XLogP3.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 66140107
5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154784
N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 60881637
5-[(2-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 66154438
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821
N-[[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
CID 60881078
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole
CID 115402091
N-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 43525018
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
N-[[5-chloro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999589

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine (CID 66153433) is N-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1cc(Cl)ccc1OCc1cncn1C(C)C.
What is the InChIKey of N-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is HTCRYAOIQIODJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-4-18-8-13-7-14(17)5-6-16(13)21-10-15-9-19-11-20(15)12(2)3/h5-7,9,11-12,18H,4,8,10H2,1-3H3.
What are the key properties of N-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine?
N-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 307.83 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 66153433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).