4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine

C18H24BrNO — CID 63460125

IUPAC4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine
SMILESCCC(N)C(Oc1ccc2ccccc2c1Br)C(C)(C)C
InChIInChI=1S/C18H24BrNO/c1-5-14(20)17(18(2,3)4)21-15-11-10-12-8-6-7-9-13(12)16(15)19/h6-11,14,17H,5,20H2,1-4H3
InChIKeyRDGVRFJAATZOPF-UHFFFAOYSA-N
MW350.30 g/mol
LogP5.13
Rot. Bonds4

About 4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine

4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine (PubChem CID 63460125) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is 4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine.

Molecular Properties

Compound Name4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine
PubChem CID63460125
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC Name4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine
SMILESCCC(N)C(Oc1ccc2ccccc2c1Br)C(C)(C)C
InChIInChI=1S/C18H24BrNO/c1-5-14(20)17(18(2,3)4)21-15-11-10-12-8-6-7-9-13(12)16(15)19/h6-11,14,17H,5,20H2,1-4H3
InChIKeyRDGVRFJAATZOPF-UHFFFAOYSA-N
XLogP5.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.30
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine?
The IUPAC name of 4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine (CID 63460125) is 4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine.
What is the SMILES notation for 4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine?
The canonical SMILES for 4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine is CCC(N)C(Oc1ccc2ccccc2c1Br)C(C)(C)C.
What is the InChIKey of 4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine?
The InChIKey is RDGVRFJAATZOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c1-5-14(20)17(18(2,3)4)21-15-11-10-12-8-6-7-9-13(12)16(15)19/h6-11,14,17H,5,20H2,1-4H3.
What are the key properties of 4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine?
4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine has a molecular weight of 350.30 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine is sourced from PubChem (CID 63460125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).