3-(4-chloronaphthalen-1-yl)oxy-2,2-dimethyl-N-propan-2-ylpropan-1-amine

C18H24ClNO — CID 79621008

IUPAC3-(4-chloronaphthalen-1-yl)oxy-2,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)(C)COc1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H24ClNO/c1-13(2)20-11-18(3,4)12-21-17-10-9-16(19)14-7-5-6-8-15(14)17/h5-10,13,20H,11-12H2,1-4H3
InChIKeyQLOCYFABZBOKOT-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.90
Rot. Bonds6

About 3-(4-chloronaphthalen-1-yl)oxy-2,2-dimethyl-N-propan-2-ylpropan-1-amine

3-(4-chloronaphthalen-1-yl)oxy-2,2-dimethyl-N-propan-2-ylpropan-1-amine (PubChem CID 79621008) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 3-(4-chloronaphthalen-1-yl)oxy-2,2-dimethyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloronaphthalen-1-yl)oxy-2,2-dimethyl-N-propan-2-ylpropan-1-amine
PubChem CID79621008
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name3-(4-chloronaphthalen-1-yl)oxy-2,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)(C)COc1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H24ClNO/c1-13(2)20-11-18(3,4)12-21-17-10-9-16(19)14-7-5-6-8-15(14)17/h5-10,13,20H,11-12H2,1-4H3
InChIKeyQLOCYFABZBOKOT-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloronaphthalen-1-yl)oxy-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4-chloronaphthalen-1-yl)oxy-2,2-dimethyl-N-propan-2-ylpropan-1-amine (CID 79621008) is 3-(4-chloronaphthalen-1-yl)oxy-2,2-dimethyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-chloronaphthalen-1-yl)oxy-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-chloronaphthalen-1-yl)oxy-2,2-dimethyl-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)(C)COc1ccc(Cl)c2ccccc12.
What is the InChIKey of 3-(4-chloronaphthalen-1-yl)oxy-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The InChIKey is QLOCYFABZBOKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO/c1-13(2)20-11-18(3,4)12-21-17-10-9-16(19)14-7-5-6-8-15(14)17/h5-10,13,20H,11-12H2,1-4H3.
What are the key properties of 3-(4-chloronaphthalen-1-yl)oxy-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
3-(4-chloronaphthalen-1-yl)oxy-2,2-dimethyl-N-propan-2-ylpropan-1-amine has a molecular weight of 305.85 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloronaphthalen-1-yl)oxy-2,2-dimethyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79621008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).