2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol

C15H26N2O — CID 113476393

IUPAC2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol
SMILESCc1ccc(C(N)CCN(C)C(C)(C)CO)cc1
InChIInChI=1S/C15H26N2O/c1-12-5-7-13(8-6-12)14(16)9-10-17(4)15(2,3)11-18/h5-8,14,18H,9-11,16H2,1-4H3
InChIKeyGIMWRYNCBVKEEX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.09
Rot. Bonds6

About 2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol

2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol (PubChem CID 113476393) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol
PubChem CID113476393
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol
SMILESCc1ccc(C(N)CCN(C)C(C)(C)CO)cc1
InChIInChI=1S/C15H26N2O/c1-12-5-7-13(8-6-12)14(16)9-10-17(4)15(2,3)11-18/h5-8,14,18H,9-11,16H2,1-4H3
InChIKeyGIMWRYNCBVKEEX-UHFFFAOYSA-N
XLogP2.09
TPSA49.49 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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619830
N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62617690
N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62619570
3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170875108
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 55011123
N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 79481346
1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 62618903
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617601
N'-methyl-1-(4-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892131
3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;hydrochloride
CID 86263009
N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695196
1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine
CID 105092577

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol (CID 113476393) is 2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol is Cc1ccc(C(N)CCN(C)C(C)(C)CO)cc1.
What is the InChIKey of 2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol?
The InChIKey is GIMWRYNCBVKEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-5-7-13(8-6-12)14(16)9-10-17(4)15(2,3)11-18/h5-8,14,18H,9-11,16H2,1-4H3.
What are the key properties of 2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol?
2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 113476393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).