3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol

C16H17Cl2NO — CID 65188048

IUPAC3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-10-2-4-11(5-3-10)14(9-19)16(20)13-8-12(17)6-7-15(13)18/h2-8,14,16,20H,9,19H2,1H3
InChIKeyYNEQOASWSCUWAE-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.08
Rot. Bonds4

About 3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol

3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol (PubChem CID 65188048) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
PubChem CID65188048
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-10-2-4-11(5-3-10)14(9-19)16(20)13-8-12(17)6-7-15(13)18/h2-8,14,16,20H,9,19H2,1H3
InChIKeyYNEQOASWSCUWAE-UHFFFAOYSA-N
XLogP4.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 65190626
3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65186212
3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 107100511
3-amino-1-(2,3-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187784
3-amino-1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185321
3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol
CID 106864312
3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 81308542
3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187891
3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol
CID 81325141
3-amino-1-(2-bromo-5-methylphenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 81117504
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorophenyl)propan-1-ol
CID 65186380

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol (CID 65188048) is 3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol is Cc1ccc(C(CN)C(O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol?
The InChIKey is YNEQOASWSCUWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-10-2-4-11(5-3-10)14(9-19)16(20)13-8-12(17)6-7-15(13)18/h2-8,14,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol?
3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol has a molecular weight of 310.22 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 65188048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).