2-amino-4-(dimethylamino)-2-phenylbutan-1-ol

C12H20N2O — CID 116695084

IUPAC2-amino-4-(dimethylamino)-2-phenylbutan-1-ol
SMILESCN(C)CCC(N)(CO)c1ccccc1
InChIInChI=1S/C12H20N2O/c1-14(2)9-8-12(13,10-15)11-6-4-3-5-7-11/h3-7,15H,8-10,13H2,1-2H3
InChIKeyXTNJJJFLQQXDNW-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.78
Rot. Bonds5

About 2-amino-4-(dimethylamino)-2-phenylbutan-1-ol

2-amino-4-(dimethylamino)-2-phenylbutan-1-ol (PubChem CID 116695084) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-amino-4-(dimethylamino)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(dimethylamino)-2-phenylbutan-1-ol
PubChem CID116695084
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-amino-4-(dimethylamino)-2-phenylbutan-1-ol
SMILESCN(C)CCC(N)(CO)c1ccccc1
InChIInChI=1S/C12H20N2O/c1-14(2)9-8-12(13,10-15)11-6-4-3-5-7-11/h3-7,15H,8-10,13H2,1-2H3
InChIKeyXTNJJJFLQQXDNW-UHFFFAOYSA-N
XLogP0.78
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenylpentan-1-ol
CID 61056433
2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol
CID 116695232
2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol
CID 116695191
2-amino-3-[2,2-dimethylpropyl(methyl)amino]-2-phenylpropan-1-ol
CID 64826974
2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol
CID 116695460
2-amino-4-(2-methoxyethylsulfanyl)-2-phenylbutan-1-ol
CID 116695696
(3R)-3-amino-3-phenylpentan-1-ol
CID 124509326
2-amino-2-phenylpent-4-en-1-ol
CID 10464867
2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol
CID 112754686
2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol
CID 64790753
2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol
CID 116695331
2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol
CID 116695357

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dimethylamino)-2-phenylbutan-1-ol?
The IUPAC name of 2-amino-4-(dimethylamino)-2-phenylbutan-1-ol (CID 116695084) is 2-amino-4-(dimethylamino)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(dimethylamino)-2-phenylbutan-1-ol?
The canonical SMILES for 2-amino-4-(dimethylamino)-2-phenylbutan-1-ol is CN(C)CCC(N)(CO)c1ccccc1.
What is the InChIKey of 2-amino-4-(dimethylamino)-2-phenylbutan-1-ol?
The InChIKey is XTNJJJFLQQXDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14(2)9-8-12(13,10-15)11-6-4-3-5-7-11/h3-7,15H,8-10,13H2,1-2H3.
What are the key properties of 2-amino-4-(dimethylamino)-2-phenylbutan-1-ol?
2-amino-4-(dimethylamino)-2-phenylbutan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dimethylamino)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).