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

C16H22ClN3O — CID 63063923

IUPACN-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCn1c(Cl)cnc1COc1ccccc1CNC(C)(C)C
InChIInChI=1S/C16H22ClN3O/c1-16(2,3)19-9-12-7-5-6-8-13(12)21-11-15-18-10-14(17)20(15)4/h5-8,10,19H,9,11H2,1-4H3
InChIKeyUTGXWLNUNFTPNS-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.54
Rot. Bonds5

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

N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63063923) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63063923
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC NameN-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCn1c(Cl)cnc1COc1ccccc1CNC(C)(C)C
InChIInChI=1S/C16H22ClN3O/c1-16(2,3)19-9-12-7-5-6-8-13(12)21-11-15-18-10-14(17)20(15)4/h5-8,10,19H,9,11H2,1-4H3
InChIKeyUTGXWLNUNFTPNS-UHFFFAOYSA-N
XLogP3.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine (CID 63063923) is N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine is Cn1c(Cl)cnc1COc1ccccc1CNC(C)(C)C.
What is the InChIKey of N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is UTGXWLNUNFTPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-16(2,3)19-9-12-7-5-6-8-13(12)21-11-15-18-10-14(17)20(15)4/h5-8,10,19H,9,11H2,1-4H3.
What are the key properties of N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 307.83 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63063923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).