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

C18H24N2O — CID 67296624

IUPAC3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol
SMILESNC(CCO)c1cccc(NCCCc2ccccc2)c1
InChIInChI=1S/C18H24N2O/c19-18(11-13-21)16-9-4-10-17(14-16)20-12-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,14,18,20-21H,5,8,11-13,19H2
InChIKeyKIHCEVJMLYPWCA-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.11
Rot. Bonds8

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

3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol (PubChem CID 67296624) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol
PubChem CID67296624
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol
SMILESNC(CCO)c1cccc(NCCCc2ccccc2)c1
InChIInChI=1S/C18H24N2O/c19-18(11-13-21)16-9-4-10-17(14-16)20-12-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,14,18,20-21H,5,8,11-13,19H2
InChIKeyKIHCEVJMLYPWCA-UHFFFAOYSA-N
XLogP3.11
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3-phenylpropylamino)phenyl]propan-1-ol
CID 174622954
3-(3-phenylpropylamino)phenol
CID 28722963
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
3-amino-1-[3-(2-phenylethylamino)phenyl]propan-1-ol
CID 59316981
1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene
CID 43741934
3-amino-3-[3-(4-phenylbut-2-ynyl)phenyl]propan-1-ol
CID 68817683
1-(3-iodophenyl)-4-phenylbutan-1-amine
CID 115849348
N-[3-(3-phenylpropylamino)phenyl]acetamide
CID 3022474
3-N-(5-phenylpentyl)benzene-1,3-diamine
CID 59708329
N-[3-(3-methylphenyl)propyl]aniline
CID 62365007
3-ethyl-N-(4-phenylbutyl)aniline
CID 114333153
3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline
CID 105139782

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol?
The IUPAC name of 3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol (CID 67296624) is 3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol is NC(CCO)c1cccc(NCCCc2ccccc2)c1.
What is the InChIKey of 3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol?
The InChIKey is KIHCEVJMLYPWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c19-18(11-13-21)16-9-4-10-17(14-16)20-12-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,14,18,20-21H,5,8,11-13,19H2.
What are the key properties of 3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol?
3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol is sourced from PubChem (CID 67296624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).