2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol

C14H24N2O — CID 79600602

IUPAC2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol
SMILESCCCN(c1ccc(C(C)N)c(O)c1)C(C)C
InChIInChI=1S/C14H24N2O/c1-5-8-16(10(2)3)12-6-7-13(11(4)15)14(17)9-12/h6-7,9-11,17H,5,8,15H2,1-4H3
InChIKeyTUPTWMXCANUSHH-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.04
Rot. Bonds5

About 2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol

2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol (PubChem CID 79600602) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol
PubChem CID79600602
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol
SMILESCCCN(c1ccc(C(C)N)c(O)c1)C(C)C
InChIInChI=1S/C14H24N2O/c1-5-8-16(10(2)3)12-6-7-13(11(4)15)14(17)9-12/h6-7,9-11,17H,5,8,15H2,1-4H3
InChIKeyTUPTWMXCANUSHH-UHFFFAOYSA-N
XLogP3.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol
CID 79604182
2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol
CID 79603670
2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol
CID 102994161
2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol
CID 107200479
2-(1-aminoethyl)-N-propan-2-yl-N-propylaniline
CID 43269689
2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol
CID 102863464
2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol
CID 113475785
5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol
CID 79603748
4-[propan-2-yl(propyl)amino]benzenecarbothioamide
CID 43269754
2-[(1S)-1-amino-3-methylbutyl]-5-(diethylamino)phenol
CID 171217383
ethyl 2-amino-5-[propan-2-yl(propyl)amino]benzoate
CID 61307358
4-N-propan-2-yl-4-N-propyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 43269261

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol?
The IUPAC name of 2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol (CID 79600602) is 2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol.
What is the SMILES notation for 2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol?
The canonical SMILES for 2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol is CCCN(c1ccc(C(C)N)c(O)c1)C(C)C.
What is the InChIKey of 2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol?
The InChIKey is TUPTWMXCANUSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-8-16(10(2)3)12-6-7-13(11(4)15)14(17)9-12/h6-7,9-11,17H,5,8,15H2,1-4H3.
What are the key properties of 2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol?
2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol has a molecular weight of 236.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol is sourced from PubChem (CID 79600602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).