(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine

C12H15N3 — CID 63714042

IUPAC(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
SMILESC[C@@H](NCc1cnc[nH]1)c1ccccc1
InChIInChI=1S/C12H15N3/c1-10(11-5-3-2-4-6-11)14-8-12-7-13-9-15-12/h2-7,9-10,14H,8H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeyRJSGQTHTVWZCDQ-SNVBAGLBSA-N
MW201.27 g/mol
LogP2.26
Rot. Bonds4

About (1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine

(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine (PubChem CID 63714042) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
PubChem CID63714042
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
SMILESC[C@@H](NCc1cnc[nH]1)c1ccccc1
InChIInChI=1S/C12H15N3/c1-10(11-5-3-2-4-6-11)14-8-12-7-13-9-15-12/h2-7,9-10,14H,8H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeyRJSGQTHTVWZCDQ-SNVBAGLBSA-N
XLogP2.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81353258
(1R)-1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81366280
1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62761205
3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol
CID 62761945
4-[1-(1H-imidazol-5-ylmethylamino)ethyl]benzonitrile
CID 62762285
1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62998835
N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine
CID 63109462
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 55109973
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 65231921
1-(2,6-dichloro-3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 63001802
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 65230680
(1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 78950279

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine?
The IUPAC name of (1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine (CID 63714042) is (1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine.
What is the SMILES notation for (1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine?
The canonical SMILES for (1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine is C[C@@H](NCc1cnc[nH]1)c1ccccc1.
What is the InChIKey of (1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine?
The InChIKey is RJSGQTHTVWZCDQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N3/c1-10(11-5-3-2-4-6-11)14-8-12-7-13-9-15-12/h2-7,9-10,14H,8H2,1H3,(H,13,15)/t10-/m1/s1.
What are the key properties of (1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine?
(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine has a molecular weight of 201.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine is sourced from PubChem (CID 63714042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).