1-[4-(2,5-diaminophenyl)phenyl]pentan-1-ol;dihydrochloride

C17H24Cl2N2O — CID 70163920

IUPAC1-[4-(2,5-diaminophenyl)phenyl]pentan-1-ol;dihydrochloride
SMILESCCCCC(O)c1ccc(-c2cc(N)ccc2N)cc1.Cl.Cl
InChIInChI=1S/C17H22N2O.2ClH/c1-2-3-4-17(20)13-7-5-12(6-8-13)15-11-14(18)9-10-16(15)19;;/h5-11,17,20H,2-4,18-19H2,1H3;2*1H
InChIKeyIBCAQDAEOLEFLO-UHFFFAOYSA-N
MW343.30 g/mol
LogP4.59
Rot. Bonds5

About 1-[4-(2,5-diaminophenyl)phenyl]pentan-1-ol;dihydrochloride

1-[4-(2,5-diaminophenyl)phenyl]pentan-1-ol;dihydrochloride (PubChem CID 70163920) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is 1-[4-(2,5-diaminophenyl)phenyl]pentan-1-ol;dihydrochloride.

Molecular Properties

Compound Name1-[4-(2,5-diaminophenyl)phenyl]pentan-1-ol;dihydrochloride
PubChem CID70163920
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC Name1-[4-(2,5-diaminophenyl)phenyl]pentan-1-ol;dihydrochloride
SMILESCCCCC(O)c1ccc(-c2cc(N)ccc2N)cc1.Cl.Cl
InChIInChI=1S/C17H22N2O.2ClH/c1-2-3-4-17(20)13-7-5-12(6-8-13)15-11-14(18)9-10-16(15)19;;/h5-11,17,20H,2-4,18-19H2,1H3;2*1H
InChIKeyIBCAQDAEOLEFLO-UHFFFAOYSA-N
XLogP4.59
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-diaminophenyl)phenyl]pentan-1-ol;dihydrochloride?
The IUPAC name of 1-[4-(2,5-diaminophenyl)phenyl]pentan-1-ol;dihydrochloride (CID 70163920) is 1-[4-(2,5-diaminophenyl)phenyl]pentan-1-ol;dihydrochloride.
What is the SMILES notation for 1-[4-(2,5-diaminophenyl)phenyl]pentan-1-ol;dihydrochloride?
The canonical SMILES for 1-[4-(2,5-diaminophenyl)phenyl]pentan-1-ol;dihydrochloride is CCCCC(O)c1ccc(-c2cc(N)ccc2N)cc1.Cl.Cl.
What is the InChIKey of 1-[4-(2,5-diaminophenyl)phenyl]pentan-1-ol;dihydrochloride?
The InChIKey is IBCAQDAEOLEFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.2ClH/c1-2-3-4-17(20)13-7-5-12(6-8-13)15-11-14(18)9-10-16(15)19;;/h5-11,17,20H,2-4,18-19H2,1H3;2*1H.
What are the key properties of 1-[4-(2,5-diaminophenyl)phenyl]pentan-1-ol;dihydrochloride?
1-[4-(2,5-diaminophenyl)phenyl]pentan-1-ol;dihydrochloride has a molecular weight of 343.30 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-diaminophenyl)phenyl]pentan-1-ol;dihydrochloride is sourced from PubChem (CID 70163920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).