(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile

C18H20N2O3 — CID 171260650

IUPAC(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile
SMILESCOc1cc(OCc2ccccc2)c([C@H](N)CC#N)cc1OC
InChIInChI=1S/C18H20N2O3/c1-21-17-10-14(15(20)8-9-19)16(11-18(17)22-2)23-12-13-6-4-3-5-7-13/h3-7,10-11,15H,8,12,20H2,1-2H3/t15-/m1/s1
InChIKeyLSPROXCARDNLDZ-OAHLLOKOSA-N
MW312.37 g/mol
LogP3.20
Rot. Bonds7

About (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile

(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile (PubChem CID 171260650) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile
PubChem CID171260650
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile
SMILESCOc1cc(OCc2ccccc2)c([C@H](N)CC#N)cc1OC
InChIInChI=1S/C18H20N2O3/c1-21-17-10-14(15(20)8-9-19)16(11-18(17)22-2)23-12-13-6-4-3-5-7-13/h3-7,10-11,15H,8,12,20H2,1-2H3/t15-/m1/s1
InChIKeyLSPROXCARDNLDZ-OAHLLOKOSA-N
XLogP3.20
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile 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

(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 171214375
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine
CID 171214368
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine
CID 171214322
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214333
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171214345
(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol
CID 171265334
(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171233973
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171214367
(S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171233983
1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
CID 10804189
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311965

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile?
The IUPAC name of (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile (CID 171260650) is (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile?
The canonical SMILES for (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile is COc1cc(OCc2ccccc2)c([C@H](N)CC#N)cc1OC.
What is the InChIKey of (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile?
The InChIKey is LSPROXCARDNLDZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-21-17-10-14(15(20)8-9-19)16(11-18(17)22-2)23-12-13-6-4-3-5-7-13/h3-7,10-11,15H,8,12,20H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile?
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile has a molecular weight of 312.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile is sourced from PubChem (CID 171260650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).