(2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine

C21H29NO3 — CID 125466336

IUPAC(2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine
SMILESCOCC(C)(C)[C@H](N)Cc1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C21H29NO3/c1-21(2,15-23-3)20(22)13-17-10-11-18(24-4)19(12-17)25-14-16-8-6-5-7-9-16/h5-12,20H,13-15,22H2,1-4H3/t20-/m1/s1
InChIKeyLOZXUTNAMJGKGD-HXUWFJFHSA-N
MW343.47 g/mol
LogP3.82
Rot. Bonds9

About (2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine

(2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine (PubChem CID 125466336) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is (2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name(2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine
PubChem CID125466336
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name(2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine
SMILESCOCC(C)(C)[C@H](N)Cc1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C21H29NO3/c1-21(2,15-23-3)20(22)13-17-10-11-18(24-4)19(12-17)25-14-16-8-6-5-7-9-16/h5-12,20H,13-15,22H2,1-4H3/t20-/m1/s1
InChIKeyLOZXUTNAMJGKGD-HXUWFJFHSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-phenylmethoxybenzene
CID 22875802
1-(6-chloro-5-methoxy-3-pyridinyl)-3,3-dimethyl-4-phenylmethoxybutan-2-amine
CID 138523933
2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid
CID 175151387
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine
CID 66512512
4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene
CID 10780824
4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]-2,2-dimethylbutanoic acid
CID 122126712
(4-methoxy-3-phenylmethoxyphenyl)methyl-(1-methoxypropan-2-yl)azanium
CID 4745399
(4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium
CID 7324300
2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893088
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine?
The IUPAC name of (2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine (CID 125466336) is (2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for (2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for (2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine is COCC(C)(C)[C@H](N)Cc1ccc(OC)c(OCc2ccccc2)c1.
What is the InChIKey of (2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine?
The InChIKey is LOZXUTNAMJGKGD-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H29NO3/c1-21(2,15-23-3)20(22)13-17-10-11-18(24-4)19(12-17)25-14-16-8-6-5-7-9-16/h5-12,20H,13-15,22H2,1-4H3/t20-/m1/s1.
What are the key properties of (2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine?
(2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine has a molecular weight of 343.47 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 125466336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).