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

C15H21N3 — CID 63975608

IUPACN-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]propan-2-amine
SMILESCCn1ccnc1-c1ccc(CNC(C)C)cc1
InChIInChI=1S/C15H21N3/c1-4-18-10-9-16-15(18)14-7-5-13(6-8-14)11-17-12(2)3/h5-10,12,17H,4,11H2,1-3H3
InChIKeyPDVDIIFAATUBCW-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.07
Rot. Bonds5

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

N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]propan-2-amine (PubChem CID 63975608) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]propan-2-amine
PubChem CID63975608
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]propan-2-amine
SMILESCCn1ccnc1-c1ccc(CNC(C)C)cc1
InChIInChI=1S/C15H21N3/c1-4-18-10-9-16-15(18)14-7-5-13(6-8-14)11-17-12(2)3/h5-10,12,17H,4,11H2,1-3H3
InChIKeyPDVDIIFAATUBCW-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975815
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine
CID 79738337
N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63974152
1-ethyl-2-(4-propan-2-yloxyphenyl)imidazole
CID 110540542
N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 63975816
N-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-2-amine
CID 102626371
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-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62222871
N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine
CID 63976027
N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
N-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine
CID 63424967

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]propan-2-amine (CID 63975608) is N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]propan-2-amine is CCn1ccnc1-c1ccc(CNC(C)C)cc1.
What is the InChIKey of N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]propan-2-amine?
The InChIKey is PDVDIIFAATUBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-18-10-9-16-15(18)14-7-5-13(6-8-14)11-17-12(2)3/h5-10,12,17H,4,11H2,1-3H3.
What are the key properties of N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]propan-2-amine?
N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]propan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.07, 5 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)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63975608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).