(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine

C17H24ClN3 — CID 81369248

IUPAC(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCCCCc1nc(Cl)c(CN[C@H](C)c2cccc(C)c2)[nH]1
InChIInChI=1S/C17H24ClN3/c1-4-5-9-16-20-15(17(18)21-16)11-19-13(3)14-8-6-7-12(2)10-14/h6-8,10,13,19H,4-5,9,11H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyQTRAXAVESONJEX-CYBMUJFWSA-N
MW305.85 g/mol
LogP4.56
Rot. Bonds7

About (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine

(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 81369248) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID81369248
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCCCCc1nc(Cl)c(CN[C@H](C)c2cccc(C)c2)[nH]1
InChIInChI=1S/C17H24ClN3/c1-4-5-9-16-20-15(17(18)21-16)11-19-13(3)14-8-6-7-12(2)10-14/h6-8,10,13,19H,4-5,9,11H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyQTRAXAVESONJEX-CYBMUJFWSA-N
XLogP4.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine (CID 81369248) is (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine is CCCCc1nc(Cl)c(CN[C@H](C)c2cccc(C)c2)[nH]1.
What is the InChIKey of (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is QTRAXAVESONJEX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-5-9-16-20-15(17(18)21-16)11-19-13(3)14-8-6-7-12(2)10-14/h6-8,10,13,19H,4-5,9,11H2,1-3H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine?
(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 305.85 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81369248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).