2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol

C15H26N2O — CID 61049003

IUPAC2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol
SMILESCCC(C)NC(C)(CO)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-6-12(2)16-15(3,11-18)13-7-9-14(10-8-13)17(4)5/h7-10,12,16,18H,6,11H2,1-5H3
InChIKeyCPVICTWWXWJYHZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.35
Rot. Bonds6

About 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol

2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol (PubChem CID 61049003) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol
PubChem CID61049003
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol
SMILESCCC(C)NC(C)(CO)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-6-12(2)16-15(3,11-18)13-7-9-14(10-8-13)17(4)5/h7-10,12,16,18H,6,11H2,1-5H3
InChIKeyCPVICTWWXWJYHZ-UHFFFAOYSA-N
XLogP2.35
TPSA35.50 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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-(butan-2-ylamino)-2-(4-chlorophenyl)propan-1-ol
CID 61049008
2-(butan-2-ylamino)-2-(4-methylsulfanylphenyl)propan-1-ol
CID 61048813
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54908415
2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol
CID 104653909
2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol
CID 61050347
3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol
CID 65235212
2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol
CID 61047505
2-(butan-2-ylamino)-2-pyridin-2-ylpropan-1-ol
CID 61049210
1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 21430110
2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 61048191
(2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
CID 97294233
(2R)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
CID 97294234

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol?
The IUPAC name of 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol (CID 61049003) is 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol.
What is the SMILES notation for 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol?
The canonical SMILES for 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol is CCC(C)NC(C)(CO)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol?
The InChIKey is CPVICTWWXWJYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-12(2)16-15(3,11-18)13-7-9-14(10-8-13)17(4)5/h7-10,12,16,18H,6,11H2,1-5H3.
What are the key properties of 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol?
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol is sourced from PubChem (CID 61049003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).