(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine

C21H29NO3 — CID 171214368

IUPAC(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine
SMILESCOc1cc(OCc2ccccc2)c([C@H](N)CCC(C)C)cc1OC
InChIInChI=1S/C21H29NO3/c1-15(2)10-11-18(22)17-12-20(23-3)21(24-4)13-19(17)25-14-16-8-6-5-7-9-16/h5-9,12-13,15,18H,10-11,14,22H2,1-4H3/t18-/m1/s1
InChIKeyUMAKBZDXRUIMTR-GOSISDBHSA-N
MW343.47 g/mol
LogP4.72
Rot. Bonds9

About (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine

(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine (PubChem CID 171214368) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine
PubChem CID171214368
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine
SMILESCOc1cc(OCc2ccccc2)c([C@H](N)CCC(C)C)cc1OC
InChIInChI=1S/C21H29NO3/c1-15(2)10-11-18(22)17-12-20(23-3)21(24-4)13-19(17)25-14-16-8-6-5-7-9-16/h5-9,12-13,15,18H,10-11,14,22H2,1-4H3/t18-/m1/s1
InChIKeyUMAKBZDXRUIMTR-GOSISDBHSA-N
XLogP4.72
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 171214375
(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
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol
CID 171265334
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile
CID 171260650
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171214345
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171214367
1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
CID 10804189
(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171233973
(S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171233983
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171251150

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine?
The IUPAC name of (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine (CID 171214368) is (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine.
What is the SMILES notation for (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine?
The canonical SMILES for (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine is COc1cc(OCc2ccccc2)c([C@H](N)CCC(C)C)cc1OC.
What is the InChIKey of (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine?
The InChIKey is UMAKBZDXRUIMTR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29NO3/c1-15(2)10-11-18(22)17-12-20(23-3)21(24-4)13-19(17)25-14-16-8-6-5-7-9-16/h5-9,12-13,15,18H,10-11,14,22H2,1-4H3/t18-/m1/s1.
What are the key properties of (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine?
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine has a molecular weight of 343.47 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 171214368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).