(2S)-1-(1H-imidazol-5-yl)-3-phenylmethoxypropan-2-amine

C13H17N3O — CID 10756874

IUPAC(2S)-1-(1H-imidazol-5-yl)-3-phenylmethoxypropan-2-amine
SMILESN[C@H](COCc1ccccc1)Cc1cnc[nH]1
InChIInChI=1S/C13H17N3O/c14-12(6-13-7-15-10-16-13)9-17-8-11-4-2-1-3-5-11/h1-5,7,10,12H,6,8-9,14H2,(H,15,16)/t12-/m0/s1
InChIKeyUFHLBBGYXSGYMU-LBPRGKRZSA-N
MW231.30 g/mol
LogP1.50
Rot. Bonds6

About (2S)-1-(1H-imidazol-5-yl)-3-phenylmethoxypropan-2-amine

(2S)-1-(1H-imidazol-5-yl)-3-phenylmethoxypropan-2-amine (PubChem CID 10756874) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (2S)-1-(1H-imidazol-5-yl)-3-phenylmethoxypropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1H-imidazol-5-yl)-3-phenylmethoxypropan-2-amine
PubChem CID10756874
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(2S)-1-(1H-imidazol-5-yl)-3-phenylmethoxypropan-2-amine
SMILESN[C@H](COCc1ccccc1)Cc1cnc[nH]1
InChIInChI=1S/C13H17N3O/c14-12(6-13-7-15-10-16-13)9-17-8-11-4-2-1-3-5-11/h1-5,7,10,12H,6,8-9,14H2,(H,15,16)/t12-/m0/s1
InChIKeyUFHLBBGYXSGYMU-LBPRGKRZSA-N
XLogP1.50
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(1H-imidazol-5-yl)-3-phenylmethoxypropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Proxyfan
CID 6421522
Iodoproxyfan
CID 132937
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine
CID 24825522
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
4-[3-(4-Prop-1-ynyl-phenoxy)-propyl]-1H-imidazole
CID 10586136
4-Iodo-benzoic acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10808147
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 24825510
2-[4-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 24825519
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-3-oxa-1-azaspiro[4.4]non-1-ene
CID 24825523
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-1-oxa-3-azaspiro[4.5]dec-2-ene
CID 24825524
4-(cyclohexylmethyl)-2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 24825525
(4R)-4-benzyl-2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 24825526

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1H-imidazol-5-yl)-3-phenylmethoxypropan-2-amine?
The IUPAC name of (2S)-1-(1H-imidazol-5-yl)-3-phenylmethoxypropan-2-amine (CID 10756874) is (2S)-1-(1H-imidazol-5-yl)-3-phenylmethoxypropan-2-amine.
What is the SMILES notation for (2S)-1-(1H-imidazol-5-yl)-3-phenylmethoxypropan-2-amine?
The canonical SMILES for (2S)-1-(1H-imidazol-5-yl)-3-phenylmethoxypropan-2-amine is N[C@H](COCc1ccccc1)Cc1cnc[nH]1.
What is the InChIKey of (2S)-1-(1H-imidazol-5-yl)-3-phenylmethoxypropan-2-amine?
The InChIKey is UFHLBBGYXSGYMU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17N3O/c14-12(6-13-7-15-10-16-13)9-17-8-11-4-2-1-3-5-11/h1-5,7,10,12H,6,8-9,14H2,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-1-(1H-imidazol-5-yl)-3-phenylmethoxypropan-2-amine?
(2S)-1-(1H-imidazol-5-yl)-3-phenylmethoxypropan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1H-imidazol-5-yl)-3-phenylmethoxypropan-2-amine is sourced from PubChem (CID 10756874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).