(1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine

C17H25N3 — CID 104943240

IUPAC(1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine
SMILESCCCCCCn1cncc1[C@H](N)Cc1ccccc1
InChIInChI=1S/C17H25N3/c1-2-3-4-8-11-20-14-19-13-17(20)16(18)12-15-9-6-5-7-10-15/h5-7,9-10,13-14,16H,2-4,8,11-12,18H2,1H3/t16-/m1/s1
InChIKeyGHKQRNKVEVVJIA-MRXNPFEDSA-N
MW271.41 g/mol
LogP3.71
Rot. Bonds8

About (1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine

(1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine (PubChem CID 104943240) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is (1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine
PubChem CID104943240
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name(1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine
SMILESCCCCCCn1cncc1[C@H](N)Cc1ccccc1
InChIInChI=1S/C17H25N3/c1-2-3-4-8-11-20-14-19-13-17(20)16(18)12-15-9-6-5-7-10-15/h5-7,9-10,13-14,16H,2-4,8,11-12,18H2,1H3/t16-/m1/s1
InChIKeyGHKQRNKVEVVJIA-MRXNPFEDSA-N
XLogP3.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.71
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

(1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine
CID 104941453
(1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941817
1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 104942784
(1R)-1-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]-2-phenylethanamine
CID 104943111
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
(1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104941515
(1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine
CID 104941977
(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869
(1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104942509
(1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104943198
(1R)-1-[3-(3-methylsulfanylpropyl)imidazol-4-yl]propan-1-amine
CID 104943152
4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol
CID 82895858

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine?
The IUPAC name of (1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine (CID 104943240) is (1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine.
What is the SMILES notation for (1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine?
The canonical SMILES for (1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine is CCCCCCn1cncc1[C@H](N)Cc1ccccc1.
What is the InChIKey of (1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine?
The InChIKey is GHKQRNKVEVVJIA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-3-4-8-11-20-14-19-13-17(20)16(18)12-15-9-6-5-7-10-15/h5-7,9-10,13-14,16H,2-4,8,11-12,18H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine?
(1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine is sourced from PubChem (CID 104943240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).