2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol

C16H21NO — CID 115135171

IUPAC2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol
SMILESCc1ccc2cc(NCC(C)(C)CO)ccc2c1
InChIInChI=1S/C16H21NO/c1-12-4-5-14-9-15(7-6-13(14)8-12)17-10-16(2,3)11-18/h4-9,17-18H,10-11H2,1-3H3
InChIKeyZASMWWOJMWVJHV-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.58
Rot. Bonds4

About 2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol

2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol (PubChem CID 115135171) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol
PubChem CID115135171
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol
SMILESCc1ccc2cc(NCC(C)(C)CO)ccc2c1
InChIInChI=1S/C16H21NO/c1-12-4-5-14-9-15(7-6-13(14)8-12)17-10-16(2,3)11-18/h4-9,17-18H,10-11H2,1-3H3
InChIKeyZASMWWOJMWVJHV-UHFFFAOYSA-N
XLogP3.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol (CID 115135171) is 2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol is Cc1ccc2cc(NCC(C)(C)CO)ccc2c1.
What is the InChIKey of 2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol?
The InChIKey is ZASMWWOJMWVJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12-4-5-14-9-15(7-6-13(14)8-12)17-10-16(2,3)11-18/h4-9,17-18H,10-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol?
2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol is sourced from PubChem (CID 115135171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).