5-(2-amino-3-propoxyanilino)pentan-1-ol

C14H24N2O2 — CID 107316474

IUPAC5-(2-amino-3-propoxyanilino)pentan-1-ol
SMILESCCCOc1cccc(NCCCCCO)c1N
InChIInChI=1S/C14H24N2O2/c1-2-11-18-13-8-6-7-12(14(13)15)16-9-4-3-5-10-17/h6-8,16-17H,2-5,9-11,15H2,1H3
InChIKeyPOKFAPHSMKNQPN-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.63
Rot. Bonds9

About 5-(2-amino-3-propoxyanilino)pentan-1-ol

5-(2-amino-3-propoxyanilino)pentan-1-ol (PubChem CID 107316474) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-(2-amino-3-propoxyanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(2-amino-3-propoxyanilino)pentan-1-ol
PubChem CID107316474
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name5-(2-amino-3-propoxyanilino)pentan-1-ol
SMILESCCCOc1cccc(NCCCCCO)c1N
InChIInChI=1S/C14H24N2O2/c1-2-11-18-13-8-6-7-12(14(13)15)16-9-4-3-5-10-17/h6-8,16-17H,2-5,9-11,15H2,1H3
InChIKeyPOKFAPHSMKNQPN-UHFFFAOYSA-N
XLogP2.63
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
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

4-(2-butoxyanilino)butan-1-ol
CID 54803446
2-(2-amino-3-propoxyanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845644
3-(2-amino-3-propoxyanilino)-2,2-dimethylpropanamide
CID 106275179
1-N-(2-ethylhexyl)-3-propoxybenzene-1,2-diamine
CID 107819831
4-(2-amino-3-chloroanilino)butan-1-ol
CID 106840311
1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine
CID 107846137
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
3-methoxy-1-N-(7-methyloctyl)benzene-1,2-diamine
CID 107814794
5-(3-chloro-2-ethoxyanilino)pentan-1-ol
CID 111770370
3-(2-amino-3-propoxyanilino)-2-methylsulfanylbutan-1-ol
CID 106155042
1-N-(oxan-4-yl)-3-propoxybenzene-1,2-diamine
CID 113393325
3-chloro-1-N-hexylbenzene-1,2-diamine
CID 104834589

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-propoxyanilino)pentan-1-ol?
The IUPAC name of 5-(2-amino-3-propoxyanilino)pentan-1-ol (CID 107316474) is 5-(2-amino-3-propoxyanilino)pentan-1-ol.
What is the SMILES notation for 5-(2-amino-3-propoxyanilino)pentan-1-ol?
The canonical SMILES for 5-(2-amino-3-propoxyanilino)pentan-1-ol is CCCOc1cccc(NCCCCCO)c1N.
What is the InChIKey of 5-(2-amino-3-propoxyanilino)pentan-1-ol?
The InChIKey is POKFAPHSMKNQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-11-18-13-8-6-7-12(14(13)15)16-9-4-3-5-10-17/h6-8,16-17H,2-5,9-11,15H2,1H3.
What are the key properties of 5-(2-amino-3-propoxyanilino)pentan-1-ol?
5-(2-amino-3-propoxyanilino)pentan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.63, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-propoxyanilino)pentan-1-ol is sourced from PubChem (CID 107316474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).