2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol

C15H26N2O — CID 79660854

IUPAC2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol
SMILESCCN(CC(C)(C)CN)C(C)c1ccccc1O
InChIInChI=1S/C15H26N2O/c1-5-17(11-15(3,4)10-16)12(2)13-8-6-7-9-14(13)18/h6-9,12,18H,5,10-11,16H2,1-4H3
InChIKeyNJPYZAFLEZCSHX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.76
Rot. Bonds6

About 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol

2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol (PubChem CID 79660854) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol
PubChem CID79660854
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol
SMILESCCN(CC(C)(C)CN)C(C)c1ccccc1O
InChIInChI=1S/C15H26N2O/c1-5-17(11-15(3,4)10-16)12(2)13-8-6-7-9-14(13)18/h6-9,12,18H,5,10-11,16H2,1-4H3
InChIKeyNJPYZAFLEZCSHX-UHFFFAOYSA-N
XLogP2.76
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660570
2,2-dimethyl-N'-[1-(2-methylphenyl)ethyl]-N'-propylpropane-1,3-diamine
CID 79668294
N'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79659867
2-[1-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]-4-methylphenol
CID 79660774
2-[1-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]benzene-1,3-diol
CID 107711458
2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol
CID 82979119
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid
CID 65063433
N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928713
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide
CID 82982515
2-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-4-methylphenol
CID 79645093
1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 70921714
2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide
CID 82980145

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol?
The IUPAC name of 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol (CID 79660854) is 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol.
What is the SMILES notation for 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol?
The canonical SMILES for 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol is CCN(CC(C)(C)CN)C(C)c1ccccc1O.
What is the InChIKey of 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol?
The InChIKey is NJPYZAFLEZCSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-17(11-15(3,4)10-16)12(2)13-8-6-7-9-14(13)18/h6-9,12,18H,5,10-11,16H2,1-4H3.
What are the key properties of 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol?
2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol has a molecular weight of 250.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol is sourced from PubChem (CID 79660854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).