(1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine

C13H17N3 — CID 167885469

IUPAC(1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine
SMILESC[C@H](NCCc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C13H17N3/c1-11(12-5-3-2-4-6-12)14-8-7-13-15-9-10-16-13/h2-6,9-11,14H,7-8H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyGBIWTRRBTDTFGQ-NSHDSACASA-N
MW215.30 g/mol
LogP2.30
Rot. Bonds5

About (1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine

(1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine (PubChem CID 167885469) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is (1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine
PubChem CID167885469
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name(1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine
SMILESC[C@H](NCCc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C13H17N3/c1-11(12-5-3-2-4-6-12)14-8-7-13-15-9-10-16-13/h2-6,9-11,14H,7-8H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyGBIWTRRBTDTFGQ-NSHDSACASA-N
XLogP2.30
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol
CID 64547217
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide
CID 115748951
(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 81368803
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol
CID 63182355
N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine
CID 54976417
N-(1H-imidazol-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 54976562
N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide
CID 134598612
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54976078
N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine
CID 113235607
N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine
CID 43493378

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine (CID 167885469) is (1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine is C[C@H](NCCc1ncc[nH]1)c1ccccc1.
What is the InChIKey of (1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine?
The InChIKey is GBIWTRRBTDTFGQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3/c1-11(12-5-3-2-4-6-12)14-8-7-13-15-9-10-16-13/h2-6,9-11,14H,7-8H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine?
(1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 167885469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).