3-[(3,4-dichlorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol

C23H25Cl2NO — CID 59570698

IUPAC3-[(3,4-dichlorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol
SMILESCC(C)N(CCC(O)c1ccc2ccccc2c1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H25Cl2NO/c1-16(2)26(15-17-7-10-21(24)22(25)13-17)12-11-23(27)20-9-8-18-5-3-4-6-19(18)14-20/h3-10,13-14,16,23,27H,11-12,15H2,1-2H3
InChIKeyXQODJLWIXYEXNC-UHFFFAOYSA-N
MW402.37 g/mol
LogP6.48
Rot. Bonds7

About 3-[(3,4-dichlorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol

3-[(3,4-dichlorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol (PubChem CID 59570698) has the molecular formula C23H25Cl2NO and a molecular weight of 402.37 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol
PubChem CID59570698
Molecular FormulaC23H25Cl2NO
Molecular Weight402.37 g/mol
Exact Mass401.13
IUPAC Name3-[(3,4-dichlorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol
SMILESCC(C)N(CCC(O)c1ccc2ccccc2c1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H25Cl2NO/c1-16(2)26(15-17-7-10-21(24)22(25)13-17)12-11-23(27)20-9-8-18-5-3-4-6-19(18)14-20/h3-10,13-14,16,23,27H,11-12,15H2,1-2H3
InChIKeyXQODJLWIXYEXNC-UHFFFAOYSA-N
XLogP6.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.37
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol (CID 59570698) is 3-[(3,4-dichlorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol is CC(C)N(CCC(O)c1ccc2ccccc2c1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol?
The InChIKey is XQODJLWIXYEXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2NO/c1-16(2)26(15-17-7-10-21(24)22(25)13-17)12-11-23(27)20-9-8-18-5-3-4-6-19(18)14-20/h3-10,13-14,16,23,27H,11-12,15H2,1-2H3.
What are the key properties of 3-[(3,4-dichlorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol?
3-[(3,4-dichlorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol has a molecular weight of 402.37 g/mol, XLogP of 6.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 59570698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).