2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol

C15H26N2O — CID 115121019

IUPAC2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol
SMILESCc1ccc(C)c(C(C)(C)CNCC(N)CO)c1
InChIInChI=1S/C15H26N2O/c1-11-5-6-12(2)14(7-11)15(3,4)10-17-8-13(16)9-18/h5-7,13,17-18H,8-10,16H2,1-4H3
InChIKeyOYAMPVRDLFMBJY-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.49
Rot. Bonds6

About 2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol

2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol (PubChem CID 115121019) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol
PubChem CID115121019
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol
SMILESCc1ccc(C)c(C(C)(C)CNCC(N)CO)c1
InChIInChI=1S/C15H26N2O/c1-11-5-6-12(2)14(7-11)15(3,4)10-17-8-13(16)9-18/h5-7,13,17-18H,8-10,16H2,1-4H3
InChIKeyOYAMPVRDLFMBJY-UHFFFAOYSA-N
XLogP1.49
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol
CID 115121053
2-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]acetamide
CID 115260324
N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227446
N-(bromomethyl)-2-(2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262506
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191394
2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol
CID 115121040
3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine
CID 115120224
2-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152822
2-amino-3-[2-(4-tert-butyl-2-methylphenyl)ethylamino]propan-1-ol
CID 115120856
1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol
CID 115121813
2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol
CID 115120572
2-amino-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-hydroxypropanamide
CID 115180202

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol?
The IUPAC name of 2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol (CID 115121019) is 2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol?
The canonical SMILES for 2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol is Cc1ccc(C)c(C(C)(C)CNCC(N)CO)c1.
What is the InChIKey of 2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol?
The InChIKey is OYAMPVRDLFMBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-5-6-12(2)14(7-11)15(3,4)10-17-8-13(16)9-18/h5-7,13,17-18H,8-10,16H2,1-4H3.
What are the key properties of 2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol?
2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol is sourced from PubChem (CID 115121019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).