1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine

C15H22N4 — CID 62748853

IUPAC1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
SMILESCc1[nH]cnc1CNCc1ccccc1CN(C)C
InChIInChI=1S/C15H22N4/c1-12-15(18-11-17-12)9-16-8-13-6-4-5-7-14(13)10-19(2)3/h4-7,11,16H,8-10H2,1-3H3,(H,17,18)
InChIKeySRQIRTRDVGMUSR-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.07
Rot. Bonds6

About 1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine

1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine (PubChem CID 62748853) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
PubChem CID62748853
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
SMILESCc1[nH]cnc1CNCc1ccccc1CN(C)C
InChIInChI=1S/C15H22N4/c1-12-15(18-11-17-12)9-16-8-13-6-4-5-7-14(13)10-19(2)3/h4-7,11,16H,8-10H2,1-3H3,(H,17,18)
InChIKeySRQIRTRDVGMUSR-UHFFFAOYSA-N
XLogP2.07
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 62742307
1-(2-methoxyphenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 62748131
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 62743984
2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 62748309
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N',N'-bis[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]ethane-1,2-diamine
CID 102599835
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60669298
1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 62748347
N'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 63314418
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine
CID 55109911
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63247799
1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 62743221
1-(5-methyl-1H-imidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 62743229

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine (CID 62748853) is 1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine is Cc1[nH]cnc1CNCc1ccccc1CN(C)C.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The InChIKey is SRQIRTRDVGMUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12-15(18-11-17-12)9-16-8-13-6-4-5-7-14(13)10-19(2)3/h4-7,11,16H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine has a molecular weight of 258.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 62748853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).