1,3-bis(3-aminophenyl)propan-1-ol

C15H18N2O — CID 12932007

IUPAC1,3-bis(3-aminophenyl)propan-1-ol
SMILESNc1cccc(CCC(O)c2cccc(N)c2)c1
InChIInChI=1S/C15H18N2O/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-6,9-10,15,18H,7-8,16-17H2
InChIKeyHDGGGWZFYISQSC-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.52
Rot. Bonds4

About 1,3-bis(3-aminophenyl)propan-1-ol

1,3-bis(3-aminophenyl)propan-1-ol (PubChem CID 12932007) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1,3-bis(3-aminophenyl)propan-1-ol.

Molecular Properties

Compound Name1,3-bis(3-aminophenyl)propan-1-ol
PubChem CID12932007
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1,3-bis(3-aminophenyl)propan-1-ol
SMILESNc1cccc(CCC(O)c2cccc(N)c2)c1
InChIInChI=1S/C15H18N2O/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-6,9-10,15,18H,7-8,16-17H2
InChIKeyHDGGGWZFYISQSC-UHFFFAOYSA-N
XLogP2.52
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)-1-phenylpropan-1-ol
CID 12932006
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol
CID 106695875
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol
CID 141037796
1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 106695951
6-(3-aminophenyl)-3-methylhexan-2-ol
CID 89100979
3-[3-[3-(dihydroxymethyl)phenyl]-1-hydroxypropyl]benzoic acid
CID 18682986
3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol
CID 66743557
3-[(3S)-3-hydroxy-3-phenylpropyl]benzoic acid
CID 125468319
3-(3-aminophenyl)propan-1-ol
CID 10103334
1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol
CID 62268993

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-aminophenyl)propan-1-ol?
The IUPAC name of 1,3-bis(3-aminophenyl)propan-1-ol (CID 12932007) is 1,3-bis(3-aminophenyl)propan-1-ol.
What is the SMILES notation for 1,3-bis(3-aminophenyl)propan-1-ol?
The canonical SMILES for 1,3-bis(3-aminophenyl)propan-1-ol is Nc1cccc(CCC(O)c2cccc(N)c2)c1.
What is the InChIKey of 1,3-bis(3-aminophenyl)propan-1-ol?
The InChIKey is HDGGGWZFYISQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-6,9-10,15,18H,7-8,16-17H2.
What are the key properties of 1,3-bis(3-aminophenyl)propan-1-ol?
1,3-bis(3-aminophenyl)propan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-aminophenyl)propan-1-ol is sourced from PubChem (CID 12932007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).