1-[3-(3-phenylpropylamino)phenyl]propan-1-ol

C18H23NO — CID 174622954

IUPAC1-[3-(3-phenylpropylamino)phenyl]propan-1-ol
SMILESCCC(O)c1cccc(NCCCc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-2-18(20)16-11-6-12-17(14-16)19-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,14,18-20H,2,7,10,13H2,1H3
InChIKeyRGRGEFYIEAWQCA-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.17
Rot. Bonds7

About 1-[3-(3-phenylpropylamino)phenyl]propan-1-ol

1-[3-(3-phenylpropylamino)phenyl]propan-1-ol (PubChem CID 174622954) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[3-(3-phenylpropylamino)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[3-(3-phenylpropylamino)phenyl]propan-1-ol
PubChem CID174622954
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[3-(3-phenylpropylamino)phenyl]propan-1-ol
SMILESCCC(O)c1cccc(NCCCc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-2-18(20)16-11-6-12-17(14-16)19-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,14,18-20H,2,7,10,13H2,1H3
InChIKeyRGRGEFYIEAWQCA-UHFFFAOYSA-N
XLogP4.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol
CID 67296624
3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol
CID 59316981
3-(3-phenylpropylamino)phenol
CID 28722963
3-ethyl-N-(4-phenylbutyl)aniline
CID 114333153
3-butan-2-yloxy-N-(3-phenylpropyl)aniline
CID 54802732
N-[3-(3-phenylpropylamino)phenyl]acetamide
CID 3022474
1-[3-(benzylamino)phenyl]butan-1-ol
CID 90045597
1-ethyl-2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(3-phenylpropyl)guanidine
CID 111762679
1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60906498
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
3-(3-phenylpropylamino)-N-propylbenzamide
CID 78885469
N-[3-(4-propylphenyl)propyl]aniline
CID 90752574

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-phenylpropylamino)phenyl]propan-1-ol?
The IUPAC name of 1-[3-(3-phenylpropylamino)phenyl]propan-1-ol (CID 174622954) is 1-[3-(3-phenylpropylamino)phenyl]propan-1-ol.
What is the SMILES notation for 1-[3-(3-phenylpropylamino)phenyl]propan-1-ol?
The canonical SMILES for 1-[3-(3-phenylpropylamino)phenyl]propan-1-ol is CCC(O)c1cccc(NCCCc2ccccc2)c1.
What is the InChIKey of 1-[3-(3-phenylpropylamino)phenyl]propan-1-ol?
The InChIKey is RGRGEFYIEAWQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-18(20)16-11-6-12-17(14-16)19-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,14,18-20H,2,7,10,13H2,1H3.
What are the key properties of 1-[3-(3-phenylpropylamino)phenyl]propan-1-ol?
1-[3-(3-phenylpropylamino)phenyl]propan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-phenylpropylamino)phenyl]propan-1-ol is sourced from PubChem (CID 174622954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).