3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol

C14H24N2O2 — CID 114145219

IUPAC3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1cc(OC)ccc1N
InChIInChI=1S/C14H24N2O2/c1-3-4-11(7-8-17)10-16-14-9-12(18-2)5-6-13(14)15/h5-6,9,11,16-17H,3-4,7-8,10,15H2,1-2H3
InChIKeyBRLXJTGSNHSRBG-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.49
Rot. Bonds8

About 3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol

3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol (PubChem CID 114145219) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol
PubChem CID114145219
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1cc(OC)ccc1N
InChIInChI=1S/C14H24N2O2/c1-3-4-11(7-8-17)10-16-14-9-12(18-2)5-6-13(14)15/h5-6,9,11,16-17H,3-4,7-8,10,15H2,1-2H3
InChIKeyBRLXJTGSNHSRBG-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
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-[(2-ethyl-4-hydroxybutyl)amino]-4-methoxybenzonitrile
CID 81306719
3-[(4-amino-3-methylanilino)methyl]hexan-1-ol
CID 114145208
1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine
CID 107819851
3-(2-amino-5-methoxyanilino)-4-methylpentan-1-ol
CID 114176709
3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide
CID 106113803
2-N-(2,2-dimethylbutyl)-4-methoxybenzene-1,2-diamine
CID 103460178
3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide
CID 106113866
3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 106115742
3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol
CID 80738189
3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol
CID 103787341
3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113705
2-(2-amino-5-methoxyanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845814

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol?
The IUPAC name of 3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol (CID 114145219) is 3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol is CCCC(CCO)CNc1cc(OC)ccc1N.
What is the InChIKey of 3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol?
The InChIKey is BRLXJTGSNHSRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-4-11(7-8-17)10-16-14-9-12(18-2)5-6-13(14)15/h5-6,9,11,16-17H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol?
3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol is sourced from PubChem (CID 114145219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).