3-(4-chloronaphthalen-1-yl)oxypentan-1-amine

C15H18ClNO — CID 43804632

IUPAC3-(4-chloronaphthalen-1-yl)oxypentan-1-amine
SMILESCCC(CCN)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H18ClNO/c1-2-11(9-10-17)18-15-8-7-14(16)12-5-3-4-6-13(12)15/h3-8,11H,2,9-10,17H2,1H3
InChIKeyVHLIAKLDBBLJCU-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.00
Rot. Bonds5

About 3-(4-chloronaphthalen-1-yl)oxypentan-1-amine

3-(4-chloronaphthalen-1-yl)oxypentan-1-amine (PubChem CID 43804632) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-(4-chloronaphthalen-1-yl)oxypentan-1-amine.

Molecular Properties

Compound Name3-(4-chloronaphthalen-1-yl)oxypentan-1-amine
PubChem CID43804632
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name3-(4-chloronaphthalen-1-yl)oxypentan-1-amine
SMILESCCC(CCN)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H18ClNO/c1-2-11(9-10-17)18-15-8-7-14(16)12-5-3-4-6-13(12)15/h3-8,11H,2,9-10,17H2,1H3
InChIKeyVHLIAKLDBBLJCU-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.00
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)oxypentan-1-amine?
The IUPAC name of 3-(4-chloronaphthalen-1-yl)oxypentan-1-amine (CID 43804632) is 3-(4-chloronaphthalen-1-yl)oxypentan-1-amine.
What is the SMILES notation for 3-(4-chloronaphthalen-1-yl)oxypentan-1-amine?
The canonical SMILES for 3-(4-chloronaphthalen-1-yl)oxypentan-1-amine is CCC(CCN)Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of 3-(4-chloronaphthalen-1-yl)oxypentan-1-amine?
The InChIKey is VHLIAKLDBBLJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-2-11(9-10-17)18-15-8-7-14(16)12-5-3-4-6-13(12)15/h3-8,11H,2,9-10,17H2,1H3.
What are the key properties of 3-(4-chloronaphthalen-1-yl)oxypentan-1-amine?
3-(4-chloronaphthalen-1-yl)oxypentan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 4.00, 5 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)oxypentan-1-amine is sourced from PubChem (CID 43804632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).