4-[[2-(aminomethyl)-2-methylpentyl]-methylamino]phenol

C14H24N2O — CID 62263583

IUPAC4-[[2-(aminomethyl)-2-methylpentyl]-methylamino]phenol
SMILESCCCC(C)(CN)CN(C)c1ccc(O)cc1
InChIInChI=1S/C14H24N2O/c1-4-9-14(2,10-15)11-16(3)12-5-7-13(17)8-6-12/h5-8,17H,4,9-11,15H2,1-3H3
InChIKeySXBHYRDPSQSKIJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.59
Rot. Bonds6

About 4-[[2-(aminomethyl)-2-methylpentyl]-methylamino]phenol

4-[[2-(aminomethyl)-2-methylpentyl]-methylamino]phenol (PubChem CID 62263583) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)-2-methylpentyl]-methylamino]phenol.

Molecular Properties

Compound Name4-[[2-(aminomethyl)-2-methylpentyl]-methylamino]phenol
PubChem CID62263583
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-[[2-(aminomethyl)-2-methylpentyl]-methylamino]phenol
SMILESCCCC(C)(CN)CN(C)c1ccc(O)cc1
InChIInChI=1S/C14H24N2O/c1-4-9-14(2,10-15)11-16(3)12-5-7-13(17)8-6-12/h5-8,17H,4,9-11,15H2,1-3H3
InChIKeySXBHYRDPSQSKIJ-UHFFFAOYSA-N
XLogP2.59
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)-2-methylpentyl]-methylamino]phenol?
The IUPAC name of 4-[[2-(aminomethyl)-2-methylpentyl]-methylamino]phenol (CID 62263583) is 4-[[2-(aminomethyl)-2-methylpentyl]-methylamino]phenol.
What is the SMILES notation for 4-[[2-(aminomethyl)-2-methylpentyl]-methylamino]phenol?
The canonical SMILES for 4-[[2-(aminomethyl)-2-methylpentyl]-methylamino]phenol is CCCC(C)(CN)CN(C)c1ccc(O)cc1.
What is the InChIKey of 4-[[2-(aminomethyl)-2-methylpentyl]-methylamino]phenol?
The InChIKey is SXBHYRDPSQSKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-9-14(2,10-15)11-16(3)12-5-7-13(17)8-6-12/h5-8,17H,4,9-11,15H2,1-3H3.
What are the key properties of 4-[[2-(aminomethyl)-2-methylpentyl]-methylamino]phenol?
4-[[2-(aminomethyl)-2-methylpentyl]-methylamino]phenol has a molecular weight of 236.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)-2-methylpentyl]-methylamino]phenol is sourced from PubChem (CID 62263583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).