(1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine

C20H31N3O — CID 97308675

IUPAC(1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine
SMILESCC(C)Cn1ccnc1CN[C@H](C)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C20H31N3O/c1-15(2)14-23-12-11-21-19(23)13-22-16(3)17-7-9-18(10-8-17)24-20(4,5)6/h7-12,15-16,22H,13-14H2,1-6H3/t16-/m1/s1
InChIKeyBWKVSXJAFUBJRM-MRXNPFEDSA-N
MW329.49 g/mol
LogP4.57
Rot. Bonds7

About (1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine

(1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine (PubChem CID 97308675) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is (1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine
PubChem CID97308675
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name(1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine
SMILESCC(C)Cn1ccnc1CN[C@H](C)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C20H31N3O/c1-15(2)14-23-12-11-21-19(23)13-22-16(3)17-7-9-18(10-8-17)24-20(4,5)6/h7-12,15-16,22H,13-14H2,1-6H3/t16-/m1/s1
InChIKeyBWKVSXJAFUBJRM-MRXNPFEDSA-N
XLogP4.57
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine (CID 97308675) is (1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine is CC(C)Cn1ccnc1CN[C@H](C)c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of (1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine?
The InChIKey is BWKVSXJAFUBJRM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H31N3O/c1-15(2)14-23-12-11-21-19(23)13-22-16(3)17-7-9-18(10-8-17)24-20(4,5)6/h7-12,15-16,22H,13-14H2,1-6H3/t16-/m1/s1.
What are the key properties of (1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine?
(1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine has a molecular weight of 329.49 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 97308675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).