5-(3-amino-5-propoxyanilino)pentan-2-ol

C14H24N2O2 — CID 106119873

IUPAC5-(3-amino-5-propoxyanilino)pentan-2-ol
SMILESCCCOc1cc(N)cc(NCCCC(C)O)c1
InChIInChI=1S/C14H24N2O2/c1-3-7-18-14-9-12(15)8-13(10-14)16-6-4-5-11(2)17/h8-11,16-17H,3-7,15H2,1-2H3
InChIKeyDRNMBYLHWIKDRX-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.63
Rot. Bonds8

About 5-(3-amino-5-propoxyanilino)pentan-2-ol

5-(3-amino-5-propoxyanilino)pentan-2-ol (PubChem CID 106119873) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-(3-amino-5-propoxyanilino)pentan-2-ol.

Molecular Properties

Compound Name5-(3-amino-5-propoxyanilino)pentan-2-ol
PubChem CID106119873
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name5-(3-amino-5-propoxyanilino)pentan-2-ol
SMILESCCCOc1cc(N)cc(NCCCC(C)O)c1
InChIInChI=1S/C14H24N2O2/c1-3-7-18-14-9-12(15)8-13(10-14)16-6-4-5-11(2)17/h8-11,16-17H,3-7,15H2,1-2H3
InChIKeyDRNMBYLHWIKDRX-UHFFFAOYSA-N
XLogP2.63
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-5-propoxyanilino)propan-2-ol
CID 80721564
3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine
CID 80721832
3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine
CID 104758765
3-N-[2-[di(propan-2-yl)amino]ethyl]-5-propoxybenzene-1,3-diamine
CID 80726917
5-propoxy-3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142729
5-propoxy-3-N-(3,3,3-trifluoropropyl)benzene-1,3-diamine
CID 80734994
3-N-butyl-5-ethoxybenzene-1,3-diamine
CID 80722072
1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol
CID 80735376
3-N-(3-methylbutan-2-yl)-5-propoxybenzene-1,3-diamine
CID 80723697
3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide
CID 106275272
3-N-(1-methylsulfonylpropan-2-yl)-5-propoxybenzene-1,3-diamine
CID 80736100
5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine
CID 80734248

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-5-propoxyanilino)pentan-2-ol?
The IUPAC name of 5-(3-amino-5-propoxyanilino)pentan-2-ol (CID 106119873) is 5-(3-amino-5-propoxyanilino)pentan-2-ol.
What is the SMILES notation for 5-(3-amino-5-propoxyanilino)pentan-2-ol?
The canonical SMILES for 5-(3-amino-5-propoxyanilino)pentan-2-ol is CCCOc1cc(N)cc(NCCCC(C)O)c1.
What is the InChIKey of 5-(3-amino-5-propoxyanilino)pentan-2-ol?
The InChIKey is DRNMBYLHWIKDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-7-18-14-9-12(15)8-13(10-14)16-6-4-5-11(2)17/h8-11,16-17H,3-7,15H2,1-2H3.
What are the key properties of 5-(3-amino-5-propoxyanilino)pentan-2-ol?
5-(3-amino-5-propoxyanilino)pentan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-5-propoxyanilino)pentan-2-ol is sourced from PubChem (CID 106119873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).