2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol

C14H24N2O — CID 62642687

IUPAC2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol
SMILESCC(C)N(C)CCNCC(O)c1ccccc1
InChIInChI=1S/C14H24N2O/c1-12(2)16(3)10-9-15-11-14(17)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3
InChIKeyMNCYWZJKTJMVJF-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.65
Rot. Bonds7

About 2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol

2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol (PubChem CID 62642687) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol
PubChem CID62642687
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol
SMILESCC(C)N(C)CCNCC(O)c1ccccc1
InChIInChI=1S/C14H24N2O/c1-12(2)16(3)10-9-15-11-14(17)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3
InChIKeyMNCYWZJKTJMVJF-UHFFFAOYSA-N
XLogP1.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol
CID 93032029
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 62640904
(1S)-2-(2-hydroxysulfonothioyloxyethylamino)-1-phenylethanol
CID 90473582
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide
CID 61013662
N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 62636093
2-(3-methylbut-3-enylamino)-1-phenylethanol
CID 114472041
(1S)-2-(hexylamino)-1-phenylethanol
CID 102581936

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol?
The IUPAC name of 2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol (CID 62642687) is 2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol.
What is the SMILES notation for 2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol?
The canonical SMILES for 2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol is CC(C)N(C)CCNCC(O)c1ccccc1.
What is the InChIKey of 2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol?
The InChIKey is MNCYWZJKTJMVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(2)16(3)10-9-15-11-14(17)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3.
What are the key properties of 2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol?
2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol has a molecular weight of 236.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol is sourced from PubChem (CID 62642687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).