(2R)-2-amino-4-methyl-1,1-bis(2-methylphenyl)pentan-1-ol

C20H27NO — CID 22084889

IUPAC(2R)-2-amino-4-methyl-1,1-bis(2-methylphenyl)pentan-1-ol
SMILESCc1ccccc1C(O)(c1ccccc1C)[C@H](N)CC(C)C
InChIInChI=1S/C20H27NO/c1-14(2)13-19(21)20(22,17-11-7-5-9-15(17)3)18-12-8-6-10-16(18)4/h5-12,14,19,22H,13,21H2,1-4H3/t19-/m1/s1
InChIKeyPMHJHVUCCNOGLV-LJQANCHMSA-N
MW297.44 g/mol
LogP3.91
Rot. Bonds5

About (2R)-2-amino-4-methyl-1,1-bis(2-methylphenyl)pentan-1-ol

(2R)-2-amino-4-methyl-1,1-bis(2-methylphenyl)pentan-1-ol (PubChem CID 22084889) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-1,1-bis(2-methylphenyl)pentan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-1,1-bis(2-methylphenyl)pentan-1-ol
PubChem CID22084889
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name(2R)-2-amino-4-methyl-1,1-bis(2-methylphenyl)pentan-1-ol
SMILESCc1ccccc1C(O)(c1ccccc1C)[C@H](N)CC(C)C
InChIInChI=1S/C20H27NO/c1-14(2)13-19(21)20(22,17-11-7-5-9-15(17)3)18-12-8-6-10-16(18)4/h5-12,14,19,22H,13,21H2,1-4H3/t19-/m1/s1
InChIKeyPMHJHVUCCNOGLV-LJQANCHMSA-N
XLogP3.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-3-methyl-1-(2-methylphenyl)-1-phenylbutane-1,2-diol
CID 131848491
(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 22691003
(1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol
CID 139051359
2-(3-methylbutyl)-2-(2-methylphenyl)propane-1,3-diol
CID 79449876
(2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol
CID 70633857
4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol
CID 79127709
2-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 62549372
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
(2-methylphenyl)methyl 2-amino-4-methylpentanoate
CID 112510029
N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 55001596
(1R,3R)-3-amino-4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol
CID 171237646
(1S,3S)-3-amino-4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol
CID 171237034

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-1,1-bis(2-methylphenyl)pentan-1-ol?
The IUPAC name of (2R)-2-amino-4-methyl-1,1-bis(2-methylphenyl)pentan-1-ol (CID 22084889) is (2R)-2-amino-4-methyl-1,1-bis(2-methylphenyl)pentan-1-ol.
What is the SMILES notation for (2R)-2-amino-4-methyl-1,1-bis(2-methylphenyl)pentan-1-ol?
The canonical SMILES for (2R)-2-amino-4-methyl-1,1-bis(2-methylphenyl)pentan-1-ol is Cc1ccccc1C(O)(c1ccccc1C)[C@H](N)CC(C)C.
What is the InChIKey of (2R)-2-amino-4-methyl-1,1-bis(2-methylphenyl)pentan-1-ol?
The InChIKey is PMHJHVUCCNOGLV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27NO/c1-14(2)13-19(21)20(22,17-11-7-5-9-15(17)3)18-12-8-6-10-16(18)4/h5-12,14,19,22H,13,21H2,1-4H3/t19-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-1,1-bis(2-methylphenyl)pentan-1-ol?
(2R)-2-amino-4-methyl-1,1-bis(2-methylphenyl)pentan-1-ol has a molecular weight of 297.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-1,1-bis(2-methylphenyl)pentan-1-ol is sourced from PubChem (CID 22084889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).