N-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine

C16H23N3O — CID 62357438

IUPACN-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1cccc(C(C)NCc2nccn2C)c1
InChIInChI=1S/C16H23N3O/c1-12(2)20-15-7-5-6-14(10-15)13(3)18-11-16-17-8-9-19(16)4/h5-10,12-13,18H,11H2,1-4H3
InChIKeyFNLCWWFLUIZSJF-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.06
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine

N-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine (PubChem CID 62357438) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine
PubChem CID62357438
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1cccc(C(C)NCc2nccn2C)c1
InChIInChI=1S/C16H23N3O/c1-12(2)20-15-7-5-6-14(10-15)13(3)18-11-16-17-8-9-19(16)4/h5-10,12-13,18H,11H2,1-4H3
InChIKeyFNLCWWFLUIZSJF-UHFFFAOYSA-N
XLogP3.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363525
1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 56828209
1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61214144
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol
CID 43694661
6-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyridin-3-ol
CID 79782484
N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43694615
N-(2-phenylethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694648
N-[(1-methylimidazol-2-yl)methyl]-1-(4-methylsulfonylphenyl)ethanamine
CID 63001655
N-ethyl-1-[3-[(1-methylimidazol-2-yl)methylsulfanyl]phenyl]ethanamine
CID 64664020
1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 112831409
1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 63295845

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine (CID 62357438) is N-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1cccc(C(C)NCc2nccn2C)c1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine?
The InChIKey is FNLCWWFLUIZSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)20-15-7-5-6-14(10-15)13(3)18-11-16-17-8-9-19(16)4/h5-10,12-13,18H,11H2,1-4H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine?
N-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 62357438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).