(2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine

C20H27NO2 — CID 161003813

IUPAC(2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine
SMILESCOc1ccc(C(N)(c2ccc(OC)cc2)[C@H](C)C(C)C)cc1
InChIInChI=1S/C20H27NO2/c1-14(2)15(3)20(21,16-6-10-18(22-4)11-7-16)17-8-12-19(23-5)13-9-17/h6-15H,21H2,1-5H3/t15-/m1/s1
InChIKeyNPZOGDGWZFZBHH-OAHLLOKOSA-N
MW313.44 g/mol
LogP4.20
Rot. Bonds6

About (2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine

(2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine (PubChem CID 161003813) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is (2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name(2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine
PubChem CID161003813
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name(2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine
SMILESCOc1ccc(C(N)(c2ccc(OC)cc2)[C@H](C)C(C)C)cc1
InChIInChI=1S/C20H27NO2/c1-14(2)15(3)20(21,16-6-10-18(22-4)11-7-16)17-8-12-19(23-5)13-9-17/h6-15H,21H2,1-5H3/t15-/m1/s1
InChIKeyNPZOGDGWZFZBHH-OAHLLOKOSA-N
XLogP4.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine
CID 158522454
(2R)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 134991044
(2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 58794752
1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine
CID 22486859
[4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol
CID 134068015
(1R)-1-iodo-1-(4-methoxyphenyl)ethanamine
CID 68562835
4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine
CID 115624966
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
3-fluoro-3-(4-methoxyphenyl)butan-2-amine
CID 105450720
1,1-bis(3,5-dimethoxyphenyl)-3-methylbutane-1,2-diamine
CID 22501160
(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 164523189
bis[2-(4-methoxyphenyl)propan-2-yl]diazene
CID 101224810

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of (2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine (CID 161003813) is (2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for (2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for (2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine is COc1ccc(C(N)(c2ccc(OC)cc2)[C@H](C)C(C)C)cc1.
What is the InChIKey of (2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine?
The InChIKey is NPZOGDGWZFZBHH-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27NO2/c1-14(2)15(3)20(21,16-6-10-18(22-4)11-7-16)17-8-12-19(23-5)13-9-17/h6-15H,21H2,1-5H3/t15-/m1/s1.
What are the key properties of (2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine?
(2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine has a molecular weight of 313.44 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 161003813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).