3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol

C13H22N2O2 — CID 80738189

IUPAC3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol
SMILESCCC(CCO)CNc1cc(N)cc(OC)c1
InChIInChI=1S/C13H22N2O2/c1-3-10(4-5-16)9-15-12-6-11(14)7-13(8-12)17-2/h6-8,10,15-16H,3-5,9,14H2,1-2H3
InChIKeyUEOQETWEAWGOPL-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.10
Rot. Bonds7

About 3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol

3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol (PubChem CID 80738189) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol
PubChem CID80738189
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol
SMILESCCC(CCO)CNc1cc(N)cc(OC)c1
InChIInChI=1S/C13H22N2O2/c1-3-10(4-5-16)9-15-12-6-11(14)7-13(8-12)17-2/h6-8,10,15-16H,3-5,9,14H2,1-2H3
InChIKeyUEOQETWEAWGOPL-UHFFFAOYSA-N
XLogP2.10
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-5-methoxyanilino)acetamide
CID 80725904
ethyl 2-(3-amino-5-methoxyanilino)acetate
CID 80730548
3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine
CID 80726384
2-[(2-ethyl-4-hydroxybutyl)amino]-4-methoxybenzonitrile
CID 81306719
3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol
CID 114145219
3-N-(cyclopentylmethyl)-5-methoxybenzene-1,3-diamine
CID 80722168
1-(3-amino-5-propoxyanilino)propan-2-ol
CID 80721564
2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide
CID 113293136
methyl 2-(3-amino-5-methoxyanilino)-4-methylpentanoate
CID 80740245
1-(3,5-dimethoxyanilino)-2-hydroxypentane-3-sulfonic acid
CID 139491459
2-(3-amino-5-methoxyanilino)ethanesulfonamide
CID 80730733
3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol
CID 106539125

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol?
The IUPAC name of 3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol (CID 80738189) is 3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol.
What is the SMILES notation for 3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol?
The canonical SMILES for 3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol is CCC(CCO)CNc1cc(N)cc(OC)c1.
What is the InChIKey of 3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol?
The InChIKey is UEOQETWEAWGOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-10(4-5-16)9-15-12-6-11(14)7-13(8-12)17-2/h6-8,10,15-16H,3-5,9,14H2,1-2H3.
What are the key properties of 3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol?
3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol is sourced from PubChem (CID 80738189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).