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

C16H23N3 — CID 79738337

IUPACN-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCCn1ccnc1Cc1ccc(CNC(C)C)cc1
InChIInChI=1S/C16H23N3/c1-4-19-10-9-17-16(19)11-14-5-7-15(8-6-14)12-18-13(2)3/h5-10,13,18H,4,11-12H2,1-3H3
InChIKeyUDOJLKQNMDWUCQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.99
Rot. Bonds6

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

N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine (PubChem CID 79738337) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine
PubChem CID79738337
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCCn1ccnc1Cc1ccc(CNC(C)C)cc1
InChIInChI=1S/C16H23N3/c1-4-19-10-9-17-16(19)11-14-5-7-15(8-6-14)12-18-13(2)3/h5-10,13,18H,4,11-12H2,1-3H3
InChIKeyUDOJLKQNMDWUCQ-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738325
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79738825
N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975608
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438
N-[[3-bromo-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63045360
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402190
N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975815
1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738227
N-[1-[2-chloro-4-[(1-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine
CID 82772155
(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol
CID 114985494
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 62355684
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62222871

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine (CID 79738337) is N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine is CCn1ccnc1Cc1ccc(CNC(C)C)cc1.
What is the InChIKey of N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is UDOJLKQNMDWUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-19-10-9-17-16(19)11-14-5-7-15(8-6-14)12-18-13(2)3/h5-10,13,18H,4,11-12H2,1-3H3.
What are the key properties of N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine?
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 79738337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).