N-[[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine

C16H22ClN3O — CID 63056031

IUPACN-[[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Cl)ccc1OCc1nccn1C
InChIInChI=1S/C16H22ClN3O/c1-12(2)9-18-10-13-8-14(17)4-5-15(13)21-11-16-19-6-7-20(16)3/h4-8,12,18H,9-11H2,1-3H3
InChIKeyDONXGDLSRPTREL-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.40
Rot. Bonds7

About N-[[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine

N-[[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63056031) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is N-[[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63056031
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC NameN-[[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Cl)ccc1OCc1nccn1C
InChIInChI=1S/C16H22ClN3O/c1-12(2)9-18-10-13-8-14(17)4-5-15(13)21-11-16-19-6-7-20(16)3/h4-8,12,18H,9-11H2,1-3H3
InChIKeyDONXGDLSRPTREL-UHFFFAOYSA-N
XLogP3.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880022
(1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 55191286
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61212601
N-[(5-chloro-2-heptoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63486010
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291343
N-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63057553
N-[[5-chloro-2-(4-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114855144
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 4716987
N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 60881637
(1R)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 113389649
(1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 113389690
[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528338

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine (CID 63056031) is N-[[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(Cl)ccc1OCc1nccn1C.
What is the InChIKey of N-[[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is DONXGDLSRPTREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-12(2)9-18-10-13-8-14(17)4-5-15(13)21-11-16-19-6-7-20(16)3/h4-8,12,18H,9-11H2,1-3H3.
What are the key properties of N-[[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
N-[[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 307.82 g/mol, XLogP of 3.40, 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-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63056031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).