N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine

C15H21N3O3 — CID 62749035

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(CNCc2nc[nH]c2C)cc(OC)c1OC
InChIInChI=1S/C15H21N3O3/c1-10-12(18-9-17-10)8-16-7-11-5-13(19-2)15(21-4)14(6-11)20-3/h5-6,9,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyLKTBZZOXMBGTMW-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.03
Rot. Bonds7

About N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine

N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine (PubChem CID 62749035) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
PubChem CID62749035
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(CNCc2nc[nH]c2C)cc(OC)c1OC
InChIInChI=1S/C15H21N3O3/c1-10-12(18-9-17-10)8-16-7-11-5-13(19-2)15(21-4)14(6-11)20-3/h5-6,9,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyLKTBZZOXMBGTMW-UHFFFAOYSA-N
XLogP2.03
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxy-3-pyridinyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 62748169
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63247799
2-methoxy-5-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 62747080
1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 62748347
1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
CID 53351776
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
CID 871572
1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride
CID 47009124
1-(3-bromo-4,5-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305915
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-en-1-amine
CID 4719130
N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 868190

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine (CID 62749035) is N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine is COc1cc(CNCc2nc[nH]c2C)cc(OC)c1OC.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine?
The InChIKey is LKTBZZOXMBGTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-12(18-9-17-10)8-16-7-11-5-13(19-2)15(21-4)14(6-11)20-3/h5-6,9,16H,7-8H2,1-4H3,(H,17,18).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine?
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine has a molecular weight of 291.35 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 62749035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).