(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

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

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Related Compounds

1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 66243851
(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81353111
(1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 97232757
(1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 97308672
(1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 94410101
N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 62738073
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841853
(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine
CID 99626012
5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120971371
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 43195719
(1R)-1-(4-chlorophenyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 81353293

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).