N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine

C16H23N3 — CID 79737937

IUPACN-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Cc2nccn2C)c(C)c1
InChIInChI=1S/C16H23N3/c1-4-7-17-12-14-5-6-15(13(2)10-14)11-16-18-8-9-19(16)3/h5-6,8-10,17H,4,7,11-12H2,1-3H3
InChIKeyRUHUGSDDRAUNFP-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.82
Rot. Bonds6

About N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine

N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine (PubChem CID 79737937) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
PubChem CID79737937
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Cc2nccn2C)c(C)c1
InChIInChI=1S/C16H23N3/c1-4-7-17-12-14-5-6-15(13(2)10-14)11-16-18-8-9-19(16)3/h5-6,8-10,17H,4,7,11-12H2,1-3H3
InChIKeyRUHUGSDDRAUNFP-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 62124555
N-[[4-[2-(1-methylimidazol-2-yl)ethylsulfanyl]phenyl]methyl]propan-1-amine
CID 114531994
N-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine
CID 102916816
1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 66472439
N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine
CID 105406336
N-[[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527116
N-[[3-bromo-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527207
N-[[2-fluoro-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79737938
N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine
CID 79739257
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438
N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79739256
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine (CID 79737937) is N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine is CCCNCc1ccc(Cc2nccn2C)c(C)c1.
What is the InChIKey of N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is RUHUGSDDRAUNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-7-17-12-14-5-6-15(13(2)10-14)11-16-18-8-9-19(16)3/h5-6,8-10,17H,4,7,11-12H2,1-3H3.
What are the key properties of N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine?
N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 79737937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).