N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine

C16H23N3O2 — CID 43749824

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
SMILESCOc1ccc(C(C)NC(C)Cn2ccnc2)cc1OC
InChIInChI=1S/C16H23N3O2/c1-12(10-19-8-7-17-11-19)18-13(2)14-5-6-15(20-3)16(9-14)21-4/h5-9,11-13,18H,10H2,1-4H3
InChIKeyMBJUJZZLRSIKEZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.64
Rot. Bonds7

About N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine

N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine (PubChem CID 43749824) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
PubChem CID43749824
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
SMILESCOc1ccc(C(C)NC(C)Cn2ccnc2)cc1OC
InChIInChI=1S/C16H23N3O2/c1-12(10-19-8-7-17-11-19)18-13(2)14-5-6-15(20-3)16(9-14)21-4/h5-9,11-13,18H,10H2,1-4H3
InChIKeyMBJUJZZLRSIKEZ-UHFFFAOYSA-N
XLogP2.64
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43791944
1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine
CID 16641649
N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749787
4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749727
1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine
CID 43791961
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471655
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 94168627
(2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061827
1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride
CID 47030748
1-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 43749780
3-[1-(3,4-dimethoxyphenyl)ethylamino]butanenitrile
CID 61174710

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine (CID 43749824) is N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine is COc1ccc(C(C)NC(C)Cn2ccnc2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine?
The InChIKey is MBJUJZZLRSIKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(10-19-8-7-17-11-19)18-13(2)14-5-6-15(20-3)16(9-14)21-4/h5-9,11-13,18H,10H2,1-4H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine?
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine is sourced from PubChem (CID 43749824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).