1-amino-2,5-bis(2-methylphenyl)pentan-3-ol

C19H25NO — CID 65186565

IUPAC1-amino-2,5-bis(2-methylphenyl)pentan-3-ol
SMILESCc1ccccc1CCC(O)C(CN)c1ccccc1C
InChIInChI=1S/C19H25NO/c1-14-7-3-5-9-16(14)11-12-19(21)18(13-20)17-10-6-4-8-15(17)2/h3-10,18-19,21H,11-13,20H2,1-2H3
InChIKeyKYPXYWBGSAYVJG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.34
Rot. Bonds6

About 1-amino-2,5-bis(2-methylphenyl)pentan-3-ol

1-amino-2,5-bis(2-methylphenyl)pentan-3-ol (PubChem CID 65186565) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-amino-2,5-bis(2-methylphenyl)pentan-3-ol.

Molecular Properties

Compound Name1-amino-2,5-bis(2-methylphenyl)pentan-3-ol
PubChem CID65186565
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-amino-2,5-bis(2-methylphenyl)pentan-3-ol
SMILESCc1ccccc1CCC(O)C(CN)c1ccccc1C
InChIInChI=1S/C19H25NO/c1-14-7-3-5-9-16(14)11-12-19(21)18(13-20)17-10-6-4-8-15(17)2/h3-10,18-19,21H,11-13,20H2,1-2H3
InChIKeyKYPXYWBGSAYVJG-UHFFFAOYSA-N
XLogP3.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol
CID 65184879
3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186415
4-methyl-1-(2-methylphenyl)heptan-3-ol
CID 107894629
3-amino-1-(2-fluoro-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 81478773
3-methyl-2-(2-methylphenyl)hexan-1-amine
CID 107886318
3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 107984152
1-amino-2-(2-fluorophenyl)-5-phenylpentan-3-ol
CID 65185569
1-amino-4-methyl-2-(2-methylphenyl)octan-3-ol
CID 114247128
1,2-bis(2-methylphenyl)ethanol
CID 60798292
3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
CID 65185130
1-[2-bromo-4-(2-methylphenyl)butyl]-2-methylbenzene
CID 55222765
4-methyl-1-(2-methylphenyl)pentan-3-amine
CID 43175902

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,5-bis(2-methylphenyl)pentan-3-ol?
The IUPAC name of 1-amino-2,5-bis(2-methylphenyl)pentan-3-ol (CID 65186565) is 1-amino-2,5-bis(2-methylphenyl)pentan-3-ol.
What is the SMILES notation for 1-amino-2,5-bis(2-methylphenyl)pentan-3-ol?
The canonical SMILES for 1-amino-2,5-bis(2-methylphenyl)pentan-3-ol is Cc1ccccc1CCC(O)C(CN)c1ccccc1C.
What is the InChIKey of 1-amino-2,5-bis(2-methylphenyl)pentan-3-ol?
The InChIKey is KYPXYWBGSAYVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-7-3-5-9-16(14)11-12-19(21)18(13-20)17-10-6-4-8-15(17)2/h3-10,18-19,21H,11-13,20H2,1-2H3.
What are the key properties of 1-amino-2,5-bis(2-methylphenyl)pentan-3-ol?
1-amino-2,5-bis(2-methylphenyl)pentan-3-ol has a molecular weight of 283.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,5-bis(2-methylphenyl)pentan-3-ol is sourced from PubChem (CID 65186565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).