3-[(4-amino-3-methylanilino)methyl]hexan-1-ol

C14H24N2O — CID 114145208

IUPAC3-[(4-amino-3-methylanilino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ccc(N)c(C)c1
InChIInChI=1S/C14H24N2O/c1-3-4-12(7-8-17)10-16-13-5-6-14(15)11(2)9-13/h5-6,9,12,16-17H,3-4,7-8,10,15H2,1-2H3
InChIKeyUPDCDXUIDMITMG-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.79
Rot. Bonds7

About 3-[(4-amino-3-methylanilino)methyl]hexan-1-ol

3-[(4-amino-3-methylanilino)methyl]hexan-1-ol (PubChem CID 114145208) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[(4-amino-3-methylanilino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-3-methylanilino)methyl]hexan-1-ol
PubChem CID114145208
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-[(4-amino-3-methylanilino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ccc(N)c(C)c1
InChIInChI=1S/C14H24N2O/c1-3-4-12(7-8-17)10-16-13-5-6-14(15)11(2)9-13/h5-6,9,12,16-17H,3-4,7-8,10,15H2,1-2H3
InChIKeyUPDCDXUIDMITMG-UHFFFAOYSA-N
XLogP2.79
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-hydroxyethyl)pentylamino]-2-methylbenzoic acid
CID 106115605
4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine
CID 107819815
3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol
CID 106113661
3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113783
3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol
CID 114145219
2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113439
1-(3,4-diaminoanilino)pentan-2-ol
CID 106751189
3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide
CID 106113803
3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113705
2-[2-(4-amino-3-methylanilino)ethylamino]ethanol
CID 23104585
4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine
CID 102694501
1-(4-amino-3-methylanilino)-3-methoxypropan-2-ol
CID 23104377

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3-methylanilino)methyl]hexan-1-ol?
The IUPAC name of 3-[(4-amino-3-methylanilino)methyl]hexan-1-ol (CID 114145208) is 3-[(4-amino-3-methylanilino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(4-amino-3-methylanilino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(4-amino-3-methylanilino)methyl]hexan-1-ol is CCCC(CCO)CNc1ccc(N)c(C)c1.
What is the InChIKey of 3-[(4-amino-3-methylanilino)methyl]hexan-1-ol?
The InChIKey is UPDCDXUIDMITMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-4-12(7-8-17)10-16-13-5-6-14(15)11(2)9-13/h5-6,9,12,16-17H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 3-[(4-amino-3-methylanilino)methyl]hexan-1-ol?
3-[(4-amino-3-methylanilino)methyl]hexan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3-methylanilino)methyl]hexan-1-ol is sourced from PubChem (CID 114145208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).