(2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine

C20H27NO — CID 158522454

IUPAC(2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine
SMILESCOc1ccc(C(N)(c2ccc(C)cc2)[C@H](C)C(C)C)cc1
InChIInChI=1S/C20H27NO/c1-14(2)16(4)20(21,17-8-6-15(3)7-9-17)18-10-12-19(22-5)13-11-18/h6-14,16H,21H2,1-5H3/t16-,20?/m1/s1
InChIKeyOJIXRRXKXONIMH-QRIPLOBPSA-N
MW297.44 g/mol
LogP4.50
Rot. Bonds5

About (2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine

(2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine (PubChem CID 158522454) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is (2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name(2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine
PubChem CID158522454
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name(2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine
SMILESCOc1ccc(C(N)(c2ccc(C)cc2)[C@H](C)C(C)C)cc1
InChIInChI=1S/C20H27NO/c1-14(2)16(4)20(21,17-8-6-15(3)7-9-17)18-10-12-19(22-5)13-11-18/h6-14,16H,21H2,1-5H3/t16-,20?/m1/s1
InChIKeyOJIXRRXKXONIMH-QRIPLOBPSA-N
XLogP4.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 161003813
(2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 58794752
(2R)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 134991044
1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene
CID 170262798
1-(113C)methoxy-4-methylbenzene
CID 166176950
1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine
CID 22486859
N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 161292893
[4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol
CID 134068015
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-methoxy-4-[1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl]-1-(4-methylphenyl)ethyl]benzene
CID 118446717
1-methoxy-4-methylbenzene;propane
CID 142064987
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine?
The IUPAC name of (2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine (CID 158522454) is (2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine.
What is the SMILES notation for (2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine?
The canonical SMILES for (2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine is COc1ccc(C(N)(c2ccc(C)cc2)[C@H](C)C(C)C)cc1.
What is the InChIKey of (2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine?
The InChIKey is OJIXRRXKXONIMH-QRIPLOBPSA-N. The full InChI is InChI=1S/C20H27NO/c1-14(2)16(4)20(21,17-8-6-15(3)7-9-17)18-10-12-19(22-5)13-11-18/h6-14,16H,21H2,1-5H3/t16-,20?/m1/s1.
What are the key properties of (2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine?
(2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine is sourced from PubChem (CID 158522454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).