1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol

C14H25N3O — CID 64821841

IUPAC1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol
SMILESCN(C)CCN(C)CC(O)(CN)c1ccccc1
InChIInChI=1S/C14H25N3O/c1-16(2)9-10-17(3)12-14(18,11-15)13-7-5-4-6-8-13/h4-8,18H,9-12,15H2,1-3H3
InChIKeyQWZFAKWPZIGIED-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.33
Rot. Bonds7

About 1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol

1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol (PubChem CID 64821841) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol
PubChem CID64821841
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol
SMILESCN(C)CCN(C)CC(O)(CN)c1ccccc1
InChIInChI=1S/C14H25N3O/c1-16(2)9-10-17(3)12-14(18,11-15)13-7-5-4-6-8-13/h4-8,18H,9-12,15H2,1-3H3
InChIKeyQWZFAKWPZIGIED-UHFFFAOYSA-N
XLogP0.33
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol
CID 116695860
1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol
CID 64822026
1-amino-3-[2-ethoxyethyl(ethyl)amino]-2-phenylpropan-2-ol
CID 64819365
2-[(3-amino-2-methyl-2-phenylpropyl)-methylamino]ethanol
CID 62256882
N',N'-dimethyl-2,2-diphenylpropane-1,3-diamine;hydrochloride
CID 54599759
1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol
CID 64822024
1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 116695800
1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol
CID 62374488
1-amino-3-ethoxy-2-phenylpropan-2-ol
CID 64813783
1-amino-3-tert-butylsulfanyl-2-phenylpropan-2-ol
CID 64812177
1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol
CID 64820472
N'-(2-methoxyethyl)-N'-methyl-2,2-diphenylpropane-1,3-diamine
CID 59200487

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol?
The IUPAC name of 1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol (CID 64821841) is 1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol is CN(C)CCN(C)CC(O)(CN)c1ccccc1.
What is the InChIKey of 1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol?
The InChIKey is QWZFAKWPZIGIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-16(2)9-10-17(3)12-14(18,11-15)13-7-5-4-6-8-13/h4-8,18H,9-12,15H2,1-3H3.
What are the key properties of 1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol?
1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol is sourced from PubChem (CID 64821841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).